SCHEMBL5244151

SCHEMBL5244151

CC(C)(c1ccccc1)n1c(=O)[nH]c2cc(Nc3ccccc3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.48
DNASE1 P24855 1/20 0.48
FEN1 P39748 1/20 0.48
ERCC4 Q92889 1/20 0.48
APP P05067 2/20 0.45
KIF11 P52732 3/20 0.41
POLB P06746 1/20 0.38
B3GNT2 Q9NY97 1/20 0.36
LMNA P02545 3/20 0.35
MDM2 Q00987 1/20 0.35
KDR P35968 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK10 P53779 1/20 0.35
MAPK14 Q16539 1/20 0.35
ALDH1A1 P00352 4/20 0.34
AR P10275 1/20 0.34
MAPT P10636 1/20 0.34
JAK1 P23458 1/20 0.34

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
SCHEMBL5243046 0.89 ERCC1 (0.52) ERCC1DNASE1FEN1ERCC4APP
SCHEMBL5240594 0.82 ERCC1 (0.46) ERCC1DNASE1FEN1ERCC4APP
SCHEMBL5857084 0.81 ERCC1 (0.45) ERCC1DNASE1FEN1ERCC4APP
SCHEMBL5242577 0.81 ERCC1 (0.44) ERCC1DNASE1FEN1ERCC4APP
SCHEMBL14339623 0.78 LMNA (0.55) ERCC1DNASE1FEN1ERCC4APP
SCHEMBL5240740 0.74 MEN1 (0.62) ERCC1DNASE1FEN1ERCC4APP
SCHEMBL5242312 0.73 POLB (0.52) ERCC1DNASE1FEN1ERCC4APP
SCHEMBL5241978 0.72 PGR (0.57) ERCC1DNASE1FEN1ERCC4APP
SCHEMBL5243128 0.72 POLB (0.51) ERCC1DNASE1FEN1ERCC4APP
SCHEMBL5245528 0.72 ERCC1 (0.51) ERCC1DNASE1FEN1ERCC4APP

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