SCHEMBL8122292

SCHEMBL8122292

CCC(Cn1c(=O)n(Cc2cc(Br)cc3c2CC(=O)N3)c2ccccc21)C(=O)O

nearest known ligand 0.86

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 12/20 0.86
CTSG P08311 3/20 0.65
CDK1 P06493 6/20 0.38
CCNB2 O95067 5/20 0.38
CCNB1 P14635 5/20 0.38
GSK3B P49841 5/20 0.38
CCNB3 Q8WWL7 5/20 0.38
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL2314701 0.93 CMA1 (1.00) CMA1CTSGCDK1CCNB2CCNB1
SCHEMBL12431643 0.83 CMA1 (0.82) CMA1CTSGCDK1CCNB2CCNB1
SCHEMBL2313030 0.82 CMA1 (1.00) CMA1CTSG
SCHEMBL2309855 0.79 CMA1 (1.00) CMA1CTSGCDK1CCNB2CCNB1
SCHEMBL8122295 0.78 CMA1 (0.75) CMA1CTSGMEN1KMT2A
SCHEMBL2314943 0.75 CMA1 (0.83) CMA1CTSGCDK1CCNB2CCNB1
SCHEMBL12432102 0.73 CMA1 (0.79) CMA1CTSG
SCHEMBL2311999 0.71 CMA1 (1.00) CMA1CTSG
SCHEMBL2312058 0.70 CMA1 (0.69) CMA1CTSG
SCHEMBL2315425 0.69 CMA1 (1.00) CMA1CTSGMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008147697-A1 BENZIMIDAZOLONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-04 WO disclosed