SCHEMBL87812

SCHEMBL87812

O=[C]Nc1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.52
GAA P10253 2/20 0.52
ALDH1A1 P00352 5/20 0.50
HPGD P15428 4/20 0.50
HSD17B10 Q99714 3/20 0.50
CYP3A4 P08684 2/20 0.50
TSHR P16473 2/20 0.50
TP53 P04637 1/20 0.50
ALOX15 P16050 1/20 0.50
CDC25B P30305 1/20 0.50
ATM Q13315 1/20 0.50
KEAP1 Q14145 1/20 0.50
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
RECQL P46063 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CA12 O43570 2/20 0.46

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
SCHEMBL2390408 0.88 HPRT1 (0.52) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL23698267 0.84 HSD17B10 (0.43) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL780090 0.82 ALDH1A1 (0.50) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL15949879 0.79 KDM4E (0.48) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL31682387 0.78 ALDH1A1 (0.50) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL2102033 0.78 ALDH1A1 (0.50) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL1557301 0.78 ALDH1A1 (0.50) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL6768843 0.78 ALDH1A1 (0.50) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL11463688 0.78 L3MBTL1 (0.37) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL14842334 0.77 ALDH1A1 (0.39) KDM4EGAAALDH1A1HPGDHSD17B10

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

Appears in 3372 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3743061-A1 CANNABINOIDS AND DERIVATIVES FOR PROMOTING IMMUNOGENICITY OF TUMOR AND INFECTED CELLS Pascal Biosciences Inc. (CA) 2020-12-02 EP claimed
WO-2019144126-A1 CANNABINOIDS AND DERIVATIVES FOR PROMOTING IMMUNOGENICITY OF TUMOR AND INFECTED CELLS PASCAL BIOSCIENCES INC. (CA) 2019-07-25 WO claimed
US-9935269-B2 Electroluminescence element Konica Minolta, Inc. (JP) 2018-04-03 US claimed
EP-2581373-A1 BENZO- OR PYRIDO-IMIDAZOLE DERIVATIVE Fujita, Takashi (JP) 2013-04-17 EP claimed
US-8415486-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS CORP. (US) 2013-04-09 US claimed
US-20120135990-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. (US) 2012-05-31 US claimed
CN-102458116-A Iap inhibitors TETRALOGIC PHARM CORP 2012-05-16 CN claimed
EP-2434890-A1 IAP INHIBITORS Tetralogic Pharmaceuticals Corp. (US) 2012-04-04 EP claimed
US-20110045397-A1 CHARGE CONTROL AGENT AND RELATED ART KURODA KAZUYOSHI 2011-02-24 US claimed
US-20100317697-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-12-16 US claimed
EP-0076024-A1 Fluidising agent IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-04-06 EP claimed
US-4377570-A Immunologically active dipeptidyl saccharides and methods of preparation MERCK & CO., INC. (US) 1983-03-22 US claimed
EP-0014159-B1 IMMUNOLOGICALLY ACTIVE DIPEPTIDYL SACCHARIDES AND METHODS OF PREPARATION MERCK & CO. INC. (US) 1982-07-14 EP claimed
US-4323676-A Process for preparing cephalosporins TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-04-06 US claimed
US-4256735-A BACTERICIDES MERCK & CO., INC. (US) 1981-03-17 US claimed
EP-0022481-A1 5,6-Alkylenepyrimidine derivatives, processes for preparing the same and pharmaceutical compositions Mitsubishi Yuka Pharmaceutical Co., Ltd. (JP) 1981-01-21 EP claimed
US-4245088-A Novel 3-acyloxymethyl-cephem compounds useful as intermediates for preparing cephalosporin antibiotics TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-01-13 US claimed
EP-0014159-A1 Immunologically active dipeptidyl saccharides and methods of preparation MERCK & CO. INC. (US) 1980-08-06 EP claimed
US-4166178-A 3-ACYLOXYMETHYL-CEPHEM COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1979-08-28 US claimed
EP-0002826-A1 Novel phosphoramidothioate derivatives, pesticidal compositions containing them, processes for preparing the novel derivatives and the use of the novel derivatives for combating pests ROHM AND HAAS COMPANY (US) 1979-07-11 EP claimed