SCHEMBL5242011

SCHEMBL5242011

O=c1[nH]c2cc(Nc3ccccc3)ccc2n1Cc1cc(Cl)ccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.51
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
EPHX2 P34913 7/20 0.45
PPARG P37231 5/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 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
OPRM1 P35372 1/20 0.42
DDR1 Q08345 2/20 0.42
MDM2 Q00987 3/20 0.41
CHRM1 P11229 2/20 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
SCHEMBL5244011 0.91 EPHX2 (0.54) PGRLMNAHTTEPHX2PPARG
SCHEMBL5243425 0.86 LMNA (0.64) PGRLMNAHTTEPHX2PPARG
SCHEMBL5241978 0.84 PGR (0.57) PGRLMNAHTTEPHX2PPARG
SCHEMBL5245513 0.84 PGR (0.48) PGRLMNAHTTEPHX2PPARG
SCHEMBL5242664 0.84 PGR (0.65) PGRLMNAHTTEPHX2PPARG
SCHEMBL5244095 0.83 EPHX2 (0.52) PGRLMNAHTTEPHX2PPARG
SCHEMBL5243161 0.83 PGR (0.57) PGRLMNAHTTEPHX2PPARG
SCHEMBL5240680 0.81 FEN1 (0.45) PGRLMNAHTTEPHX2PPARG
SCHEMBL5243228 0.81 ERCC1 (0.45) PGRLMNAHTTEPHX2PPARG
SCHEMBL5244033 0.79 ERCC1 (0.46) PGRHTTEPHX2PPARGMEN1

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 4 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