SCHEMBL7501089

SCHEMBL7501089

COc1cccc(OC)c1C(=O)/C=C/c1ncc[nH]1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.48
CYP2D6 P10635 6/20 0.48
CYP1A1 P04798 5/20 0.48
AURKA O14965 1/20 0.45
ABCG2 Q9UNQ0 4/20 0.44
CYP1B1 Q16678 3/20 0.44
AHR P35869 1/20 0.44
CYP3A4 P08684 2/20 0.43
TNFRSF1A P19438 1/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
KRAS P01116 1/20 0.41
TLK2 Q86UE8 2/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 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
SCHEMBL7501096 1.00 CYP1A2 (0.48) CYP1A2CYP2D6CYP1A1AURKAABCG2
SCHEMBL7499540 0.92 AURKA (0.56) CYP1A2CYP2D6CYP1A1AURKAABCG2
SCHEMBL7499548 0.92 AURKA (0.56) CYP1A2CYP2D6CYP1A1AURKAABCG2
SCHEMBL7501712 0.85 ABCG2 (0.59) CYP1A2CYP2D6CYP1A1ABCG2CYP1B1
SCHEMBL7501717 0.85 ABCG2 (0.59) CYP1A2CYP2D6CYP1A1ABCG2CYP1B1
SCHEMBL20518159 0.79 ABCG2 (0.60) CYP1A2CYP2D6CYP1A1ABCG2CYP1B1
SCHEMBL7507526 0.78 ABCG2 (0.61) CYP1A2CYP2D6CYP1A1ABCG2CYP1B1
SCHEMBL7507534 0.78 ABCG2 (0.61) CYP1A2CYP2D6CYP1A1ABCG2CYP1B1
SCHEMBL7502109 0.77 ABCG2 (0.62) CYP1A2CYP2D6CYP1A1ABCG2CYP1B1
SCHEMBL7495859 0.77 ABCG2 (0.62) ABCG2TNFRSF1A

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