SCHEMBL5243228

SCHEMBL5243228

Cc1ccccc1Cn1c(=O)[nH]c2cc(Nc3ccccc3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.45
DNASE1 P24855 1/20 0.45
FEN1 P39748 1/20 0.45
ERCC4 Q92889 1/20 0.45
EPHX2 P34913 5/20 0.43
PPARG P37231 3/20 0.43
PGR P06401 1/20 0.43
APP P05067 1/20 0.42
CHRM1 P11229 2/20 0.40
THRB P10828 1/20 0.40
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
KMT2A Q03164 1/20 0.39
BRD4 O60885 1/20 0.39
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK9 P45984 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL5241022 0.92 PGR (0.43) ERCC1DNASE1FEN1ERCC4EPHX2
SCHEMBL5242030 0.90 ERCC1 (0.43) ERCC1DNASE1FEN1ERCC4EPHX2
SCHEMBL5242521 0.90 TP53 (0.44) ERCC1DNASE1FEN1ERCC4EPHX2
SCHEMBL5240680 0.86 FEN1 (0.45) ERCC1DNASE1FEN1ERCC4EPHX2
SCHEMBL5241468 0.85 EPHX2 (0.55) ERCC1DNASE1FEN1ERCC4EPHX2
SCHEMBL5241978 0.85 PGR (0.57) ERCC1DNASE1FEN1ERCC4EPHX2
SCHEMBL5243297 0.84 MAPT (0.47) ERCC1DNASE1FEN1ERCC4EPHX2
SCHEMBL5244033 0.84 ERCC1 (0.46) ERCC1DNASE1FEN1ERCC4EPHX2
SCHEMBL5242850 0.83 PGR (0.51) ERCC1DNASE1FEN1ERCC4EPHX2
SCHEMBL5242867 0.83 PGR (0.48) ERCC1DNASE1FEN1ERCC4EPHX2

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