SCHEMBL8926499

SCHEMBL8926499

CSc1ccc(-c2[nH]nc(C(F)F)c2-c2ccc(C(=O)Cl)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
HAO1 Q9UJM8 1/20 0.33
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
MMP8 P22894 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
PDE4A P27815 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
PDE4B Q07343 1/20 0.33

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
SCHEMBL8640524 0.89 CCNE2 (0.38) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL8196145 0.79 CYP1A1 (0.40) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL8642584 0.71 BRD4 (0.43) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL435246 0.71 PLK1 (0.57) HAO1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL6624151 0.67 HAO1 (0.39) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL8639382 0.66 MAPK14 (0.44) GSK3B
SCHEMBL6622736 0.66 MAPK14 (0.44) CDK2GSK3B
SCHEMBL6623323 0.66 MAPK14 (0.44) CDK2GSK3B
SCHEMBL8642444 0.66 GSK3B (0.45) CYP1A2CYP2C9ALOX15HSD17B10GSK3B
SCHEMBL7465548 0.65 PTGS2 (0.54) HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5670533-A ANTIINFLAMMATORY AGENTS, ANALGESICS OR ANTIRHEUMATIC DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-23 US disclosed