SCHEMBL1822754

SCHEMBL1822754

CCC[N]c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
CYP3A4 P08684 2/20 0.46
SLC6A4 P31645 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ABCB11 O95342 1/20 0.46
NR3C1 P04150 1/20 0.46
ADRA2A P08913 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
ADRA2C P18825 1/20 0.46
MAOA P21397 1/20 0.46
DRD1 P21728 1/20 0.46
HTR2B P41595 1/20 0.46
CCR2 P41597 1/20 0.46
CYP2A6 P11509 2/20 0.45
SIGMAR1 Q99720 8/20 0.43
CYP2D6 P10635 3/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6541999 0.89 HPRT1 (0.48) ALDH1A1CYP1A2TDP1CYP3A4SLC6A4
SCHEMBL731901 0.89 CYP1A2 (0.43) ALDH1A1CYP1A2TDP1CYP3A4SLC6A4
SCHEMBL6541657 0.87 ALDH1A1 (0.42) ALDH1A1CYP1A2TDP1CYP3A4SLC6A4
SCHEMBL6540677 0.85 MAPT (0.41) ALDH1A1CYP1A2TDP1CYP3A4SLC6A4
SCHEMBL6542194 0.85 MAPT (0.41) ALDH1A1CYP1A2TDP1CYP3A4SLC6A4
SCHEMBL6541705 0.85 MAPT (0.41) ALDH1A1CYP1A2TDP1CYP3A4SLC6A4
SCHEMBL6541690 0.85 SIGMAR1 (0.42) ALDH1A1CYP1A2HSD17B10HPGDMAOA
SCHEMBL2874260 0.83 CYP1A2 (0.48) ALDH1A1CYP1A2TDP1CYP3A4SLC6A4
SCHEMBL286577 0.83 CYP1A2 (0.48) ALDH1A1CYP1A2TDP1CYP3A4SLC6A4
SCHEMBL3952058 0.80 CYP1A2 (0.46) ALDH1A1CYP1A2TDP1CYP3A4SLC6A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7226991-B1 inhibiting SH2 domain binding with a phosphoprotein; to inhibit proliferation of tumor cells; for inhibiting the growth of human breast cancer cells UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2007-06-05 US claimed
US-7132392-B1 Inhibition of cell motility and angiogenesis by inhibitors of Grb2-SH2-domain THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2006-11-07 US claimed
EP-1163262-A1 PHENYLALANINE DERIVATIVES THE GOVERNMENT OF THE UNITED STATES OF AMERICA as represented by THE SECRETARY of the DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2001-12-19 EP claimed
WO-2000056760-A1 PHENYLALANINE DERIVATIVES THE UNITED STATES OF AMERICA, REPRESENTED BY SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2000-09-28 WO claimed
EP-3778715-B1 POLYMETALLOXANE, COMPOSITION, CURED FILM, MEMBER, ELECTRONIC COMPONENT, FIBER, BINDER FOR CERAMIC MOLDING, CURED FILM PRODUCTION METHOD, AND FIBER PRODUCTION METHOD TORAY INDUSTRIES (JP) 2022-05-25 EP disclosed
CN-111886280-B Polymetaloxane, composition, cured film, member, electronic component, fiber, adhesive for ceramic molding, method for producing cured film, and method for producing fiber 东丽株式会社 2022-04-26 CN disclosed
US-20210371599-A1 POLYMETALLOXANE, COMPOSITION, CURED FILM, MEMBER, ELECTRONIC COMPONENT, FIBER, BINDER FOR CERAMIC MOLDING, CURED FILM PRODUCTION METHOD, AND FIBER PRODUCTION METHOD TORAY INDUSTRIES, INC. (JP) 2021-12-02 US disclosed
EP-3778715-A1 POLYMETALLOXANE, COMPOSITION, CURED FILM, MEMBER, ELECTRONIC COMPONENT, FIBER, BINDER FOR CERAMIC MOLDING, CURED FILM PRODUCTION METHOD, AND FIBER PRODUCTION METHOD Toray Industries, Inc. (JP) 2021-02-17 EP disclosed
CN-111886280-A Polymetaloxane, composition, cured film, member, electronic component, fiber, adhesive for ceramic molding, method for producing cured film, and method for producing fiber 东丽株式会社 2020-11-03 CN disclosed
WO-2019188835-A1 POLYMETALLOXANE, COMPOSITION, CURED FILM, MEMBER, ELECTRONIC COMPONENT, FIBER, BINDER FOR CERAMIC MOLDING, CURED FILM PRODUCTION METHOD, AND FIBER PRODUCTION METHOD 東レ株式会社 2019-10-03 WO disclosed
EP-1163262-B1 PHENYLALANINE DERIVATIVES US GOV HEALTH & HUMAN SERV (US) 2011-05-11 EP disclosed
US-7825216-B2 Conjugate which inhibits SH2 domains from binding with phosphoproteins for use in prevention and/or treatment of cancer, diabetes, obesity, autoimmune, inflammatory, metabolic and/or cardiovascular diseases; pharmacokinetics, bioavailability THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-11-02 US disclosed
WO-1999037639-A1 SUBSTITUTED 5-(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL) CYCLOPENTENOPYRIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-07-29 WO disclosed
US-5707987-A BACTERICIDE ANTIBIOTICS BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-01-13 US disclosed
EP-0747381-A1 CARBAPENEM DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-12-11 EP disclosed
EP-0279681-A2 Saturated heterocyclic carboxamide derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-08-24 EP disclosed
US-4576753-A MICROBIOCIDES, ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-03-18 US disclosed
US-4472309-A ANTIMICROBIAL FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-09-18 US disclosed
US-4304718-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-08 US disclosed
US-4181800-A ANTIBIOTICS FROM SUBSTITUTED PERHYDRO-S-TRIAZINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-01-01 US disclosed