SCHEMBL13632183

SCHEMBL13632183

Cc1cc(N2C[C@H](NC(=O)c3ccc(Br)s3)CC2=O)ccc1N1CCCNS1(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.42
LMNA P02545 4/20 0.41
POLB P06746 1/20 0.41
F10 P00742 5/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL13632176 0.88 TP53 (0.45) TP53LMNAPOLBF10ALDH1A1
SCHEMBL4505976 0.82 F10 (0.55) TP53LMNAPOLBF10ALDH1A1
SCHEMBL4516610 0.81 TP53 (0.45) TP53LMNAPOLBF10ALDH1A1
SCHEMBL4505254 0.80 TP53 (0.47) TP53LMNAPOLBF10ALDH1A1
SCHEMBL4516670 0.79 TP53 (0.45) TP53LMNAPOLBF10ALDH1A1
SCHEMBL4511189 0.79 F10 (0.46) TP53LMNAPOLBF10ALDH1A1
SCHEMBL4506006 0.79 F10 (0.46) TP53LMNAPOLBF10ALDH1A1
SCHEMBL4495318 0.79 F10 (0.52) TP53LMNAPOLBF10
SCHEMBL4506653 0.79 F10 (0.57) TP53F10
SCHEMBL4492727 0.79 F10 (0.57) TP53F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7615549-B2 Substituted pyrrolidinones, their manufacture and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-10 US disclosed
US-7615549-B2 Substituted pyrrolidinones, their manufacture and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-10 US disclosed