SCHEMBL5242602

SCHEMBL5242602

O=c1[nH]c2cc(Nc3ccccc3)ccc2n1Cc1ccccc1C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 15/20 0.63
PPARG P37231 9/20 0.63
KIF11 P52732 2/20 0.44
CHRM1 P11229 1/20 0.43
DRD2 P14416 1/20 0.43
ERCC1 P07992 1/20 0.43
DNASE1 P24855 1/20 0.43
FEN1 P39748 1/20 0.43
ERCC4 Q92889 1/20 0.43
ECE1 P42892 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
SCHEMBL5240680 0.83 FEN1 (0.45) EPHX2PPARGERCC1DNASE1FEN1
SCHEMBL5243228 0.83 ERCC1 (0.45) EPHX2PPARGCHRM1ERCC1DNASE1
SCHEMBL5245102 0.82 EPHX2 (0.50) EPHX2PPARGKIF11ERCC1DNASE1
SCHEMBL5241978 0.82 PGR (0.57) EPHX2PPARGERCC1DNASE1FEN1
SCHEMBL5243774 0.81 KIF11 (0.49) EPHX2PPARGKIF11CHRM1
SCHEMBL5244033 0.81 ERCC1 (0.46) EPHX2PPARGERCC1DNASE1FEN1
SCHEMBL22612923 0.81 EPHX2 (0.63) EPHX2PPARGCHRM1
SCHEMBL5241468 0.80 EPHX2 (0.55) EPHX2PPARGKIF11ERCC1DNASE1
SCHEMBL5241022 0.80 PGR (0.43) EPHX2PPARGERCC1DNASE1FEN1
SCHEMBL5245513 0.80 PGR (0.48) EPHX2PPARGERCC1DNASE1FEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115644-B2 Heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-10-03 US claimed
EP-1539708-B1 BENZIMIDAZOLONES AND THEIR USE AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2007-12-26 EP disclosed
EP-1539708-B1 BENZIMIDAZOLONES AND THEIR USE AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2007-12-26 EP disclosed
US-7115644-B2 Heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-10-03 US disclosed
EP-1539708-A1 BENZIMIDAZOLONES AND THEIR USE AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-06-15 EP disclosed
WO-2004024699-A1 BENZIMIDAZOLONES AND THEIR USE AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-03-25 WO disclosed