SCHEMBL7501717

SCHEMBL7501717

COc1ccccc1C(=O)C=Cc1ncc[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.59
ABCB1 P08183 2/20 0.52
MAOB P27338 3/20 0.50
CYP3A4 P08684 1/20 0.50
TLK2 Q86UE8 1/20 0.49
AR P10275 2/20 0.49
CYP1A1 P04798 3/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2D6 P10635 3/20 0.46
CYP1B1 Q16678 2/20 0.46
GPR52 Q9Y2T5 1/20 0.46
AHR P35869 1/20 0.46
NR1H4 Q96RI1 1/20 0.45
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL7501712 1.00 ABCG2 (0.59) ABCG2ABCB1MAOBCYP3A4TLK2
SCHEMBL7502412 0.87 AR (0.44) ABCG2MAOBARMEN1MAPT
SCHEMBL7502417 0.87 AR (0.44) ABCG2MAOBARMEN1MAPT
SCHEMBL7501089 0.85 CYP1A2 (0.48) ABCG2MAOBCYP3A4TLK2CYP1A1
SCHEMBL7501096 0.85 CYP1A2 (0.48) ABCG2MAOBCYP3A4TLK2CYP1A1
SCHEMBL7495859 0.84 ABCG2 (0.62) ABCG2MAPT
SCHEMBL7502109 0.84 ABCG2 (0.62) ABCG2CYP3A4CYP1A1CYP1A2CYP2D6
SCHEMBL7502106 0.84 ABCG2 (0.62) ABCG2CYP3A4CYP1A1CYP1A2CYP2D6
SCHEMBL7495868 0.84 ABCG2 (0.62) ABCG2MAPT
SCHEMBL7501148 0.82 GPR52 (0.43) ABCG2ABCB1TLK2GPR52MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0924202-B1 Imidazole derivative and medicine comprising the same as active ingredient SSP CO LTD (JP) 2002-05-29 EP disclosed
US-6071943-A IMMUNOMODULATORS WHICH SUPPRESS SPECIFIC CYTOKINES, FOR AUTOIMMUNE DISEASES SSP CO. LTD. (JP) 2000-06-06 US disclosed
EP-0924202-A1 Imidazole derivative and medicine comprising the same as active ingredient SSP Co., Ltd. (JP) 1999-06-23 EP disclosed