SCHEMBL5244668

SCHEMBL5244668

CN(C)CCn1c(=O)[nH]c2cc(Nc3ccccc3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.46
DNASE1 P24855 1/20 0.46
FEN1 P39748 1/20 0.46
ERCC4 Q92889 1/20 0.46
APP P05067 1/20 0.46
MPO P05164 3/20 0.43
CCR4 P51679 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
HTT P42858 2/20 0.41
HAVCR2 Q8TDQ0 1/20 0.41
PRKCB P05771 1/20 0.40
PRKCA P17252 1/20 0.40
CYP1A2 P05177 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 2/20 0.39
PGR P06401 1/20 0.39
HPGD P15428 2/20 0.39

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
SCHEMBL5242591 0.93 MPO (0.49) ERCC1DNASE1FEN1ERCC4APP
SCHEMBL5243149 0.84 RAB9A (0.48) ERCC1DNASE1FEN1ERCC4APP
SCHEMBL14339577 0.84 ERCC1 (0.49) ERCC1DNASE1FEN1ERCC4APP
SCHEMBL5242487 0.84 ERCC1 (0.49) ERCC1DNASE1FEN1ERCC4APP
SCHEMBL5240132 0.83 RAB9A (0.47) ERCC1DNASE1FEN1ERCC4APP
SCHEMBL5243499 0.83 KMT2A (0.48) ERCC1DNASE1FEN1ERCC4APP
SCHEMBL5243422 0.83 ERCC1 (0.46) ERCC1DNASE1FEN1ERCC4APP
SCHEMBL14339630 0.82 PGR (0.45) ERCC1DNASE1FEN1ERCC4MPO
SCHEMBL5240605 0.82 RAB9A (0.46) ERCC1DNASE1FEN1ERCC4APP
SCHEMBL5242811 0.81 POLB (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