SCHEMBL8105375

SCHEMBL8105375

CCCC(CC(=O)OCC)n1c(=O)n(Cc2cc(Br)cc3c2CCN3)c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 9/20 0.62
CTSG P08311 1/20 0.62
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 2/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL8120831 0.91 CMA1 (0.62) CMA1CTSGALDH1A1MEN1KMT2A
SCHEMBL8101716 0.81 CMA1 (0.75) CMA1CTSGCYP1A2CYP3A4CYP2D6
SCHEMBL13129793 0.80 CMA1 (0.53) CMA1CTSGALDH1A1MEN1KMT2A
SCHEMBL8116546 0.80 CMA1 (0.52) CMA1CTSGALDH1A1MEN1KMT2A
SCHEMBL2314943 0.80 CMA1 (0.83) CMA1CTSGMEN1KMT2ASMN1; SMN2
SCHEMBL2316175 0.79 CMA1 (0.64) CMA1CTSGALDH1A1MEN1KMT2A
SCHEMBL2316182 0.79 CMA1 (0.64) CMA1CTSGALDH1A1MEN1KMT2A
SCHEMBL8117122 0.79 CMA1 (0.52) CMA1CTSGALDH1A1MEN1KMT2A
SCHEMBL2310697 0.79 CMA1 (0.51) CMA1CTSGALDH1A1MEN1KMT2A
SCHEMBL8122295 0.78 CMA1 (0.75) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152674-B1 BENZIMIDAZOLONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2011-08-03 EP disclosed
WO-2008147697-A1 BENZIMIDAZOLONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-04 WO disclosed