SCHEMBL239668

SCHEMBL239668

Nc1ncnc2ccc(OCCCN3CCOCC3)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.56
HRH3 Q9Y5N1 6/20 0.53
MAPK1 P28482 2/20 0.53
ALDH1A1 P00352 2/20 0.53
CYP1A2 P05177 1/20 0.53
CHRM2 P08172 1/20 0.53
CHRM1 P11229 1/20 0.53
HTR2A P28223 1/20 0.53
SCN1A P35498 1/20 0.53
HTR2B P41595 1/20 0.53
KCNH2 Q12809 1/20 0.53
SCN2A Q99250 1/20 0.53
SCN3A Q9NY46 1/20 0.53
USP2 O75604 1/20 0.52
LMNA P02545 1/20 0.52
ACHE P22303 1/20 0.51
SRC P12931 3/20 0.50
FGFR1 P11362 1/20 0.50
CHEK1 O14757 1/20 0.48
KDR P35968 1/20 0.48

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
SCHEMBL30783040 0.91 SRC (0.55) SIGMAR1HRH3MAPK1ALDH1A1CYP1A2
SCHEMBL4429202 0.91 SRC (0.55) SIGMAR1HRH3MAPK1ALDH1A1CYP1A2
SCHEMBL4690065 0.84 KDM4E (0.54) ALDH1A1ACHESRCFGFR1CHEK1
SCHEMBL3351733 0.81 SRC (0.58) SIGMAR1HRH3MAPK1ALDH1A1CYP1A2
SCHEMBL31061228 0.81 ALDH1A1 (0.51) SIGMAR1HRH3MAPK1ALDH1A1CYP1A2
SCHEMBL3351728 0.81 ALDH1A1 (0.51) SIGMAR1HRH3MAPK1ALDH1A1CYP1A2
SCHEMBL28969386 0.81 SRC (0.50) HRH3KCNH2SRCFGFR1KDR
SCHEMBL31491127 0.79 SRC (0.53) HRH3KCNH2SRCFGFR1KDR
SCHEMBL30486269 0.79 MAP4K4 (0.51) SIGMAR1HRH3ACHE
SCHEMBL4416637 0.79 MAP4K4 (0.51) SIGMAR1HRH3ACHE

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118978513-A Gefitinib-linked triazole derivative and preparation method and application thereof 河南师范大学 2024-11-19 CN disclosed
US-9579365-B2 Therapeutic ribonucleases QUINTESSENCE BIOSCIENCES, INC. (US) 2017-02-28 US disclosed
US-20150209415-A1 THERAPEUTIC RIBONUCLEASES QUINTESSENCE BIOSCIENCES, INC. 2015-07-30 US disclosed
EP-2670775-A1 ANTI-TACE ANTIBODY MOLECULES AND THEIR USES Cancer Research Technology Limited (GB) 2013-12-11 EP disclosed
WO-2012104581-A1 ANTI-TACE ANTIBODY MOLECULES AND THEIR USES CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-08-09 WO disclosed
US-8216567-B2 Therapeutic ribonucleases QUINTESSENCE BIOSCIENCES, INC. (US) 2012-07-10 US disclosed
US-20120003150-A1 THERAPEUTIC RIBONUCLEASES QUINTESSENCE BIOSCIENCES, INC. (US) 2012-01-05 US disclosed