SCHEMBL5992113

SCHEMBL5992113

COc1ccc(CN(N)c2ccc(C#N)cc2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.54
STS P08842 2/20 0.54
AOC3 Q16853 1/20 0.47
CA2 P00918 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ATM Q13315 1/20 0.44
KDM1A O60341 3/20 0.44
CACNA1G O43497 1/20 0.43
CACNA1B Q00975 1/20 0.43
KCNH2 Q12809 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
AR P10275 1/20 0.40

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
SCHEMBL5992874 0.88 KDM1A (0.56) CYP19A1STSKDM4EKDM1AKCNH2
SCHEMBL5991163 0.81 MAOA (0.54) CYP19A1STSAOC3CACNA1GCACNA1B
SCHEMBL5436760 0.81 MAOA (0.54) CYP19A1STSAOC3CACNA1GCACNA1B
SCHEMBL5992333 0.79 LOXL2 (0.54) CYP19A1STSCA2KCNH2MEN1
SCHEMBL5991160 0.75 CYP2A6 (0.55) CYP19A1KDM1AALDH1A1
SCHEMBL5992091 0.75 CYP19A1 (0.62) CYP19A1STS
SCHEMBL5993010 0.75 CYP19A1 (0.48) CYP19A1STSKDM1AKCNH2
SCHEMBL14549047 0.73 CYP19A1 (0.56) CYP19A1STS
SCHEMBL14548899 0.73 CYP19A1 (0.70) CYP19A1STS
SCHEMBL3436222 0.73 AOC3 (0.69) CYP19A1AOC3CA2KDM4EATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572665-B1 1-N-PHENYLAMINO-1H-IMIDAZOLE DERIVATIVES AS AROMATASE INHIBITORS THERAMEX (MC) 2006-05-03 EP disclosed
EP-1572665-A2 1-N-PHENYLAMINO-1H-IMIDAZOLE DERIVATIVES AS AROMATASE INHIBITORS LABORATOIRE THERAMEX (MC) 2005-09-14 EP disclosed
WO-2004054983-A2 1-N-PHENYLAMINO-1H-IMIDAZOLE DERIVATIVES AS AROMATASE INHIBITORS LABORATOIRE THERAMEX (MC) 2004-07-01 WO disclosed
EP-1431292-A1 1-N-phenylamino-1H-imidazole derivatives as aromatase inhibitors LABORATOIRE THERAMEX (MC) 2004-06-23 EP disclosed
US-6737433-B1 ESTROGEN DEPENDENT ANTITUMOR AGENTS LABORATOIRE THERAMEX (MC) 2004-05-18 US disclosed