SCHEMBL640778

SCHEMBL640778

CC(C)(C)c1cccc(CC(=O)O)c1-n1c(=O)[nH]c2ccc(Cl)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.41
AURKA O14965 1/20 0.41
CBX7 O95931 1/20 0.40
CDYL2 Q8N8U2 1/20 0.40
CDYL Q9Y232 1/20 0.40
CDY1; CDY1B Q9Y6F8 1/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PGR P06401 4/20 0.37
MAT2A P31153 1/20 0.37
MDM2 Q00987 1/20 0.37
OPRM1 P35372 1/20 0.36
SIRT1 Q96EB6 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35

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
SCHEMBL641034 0.86 NPEPPS (0.43) DAOAURKAMEN1LMNAKMT2A
SCHEMBL638525 0.85 PGR (0.38) AURKAL3MBTL1PGRGRIN2DGRIN3B
SCHEMBL640118 0.79 AURKA (0.49) DAOAURKACBX7CDYL2CDYL
SCHEMBL640147 0.73 PPARG (0.45) MEN1KMT2APPARG
SCHEMBL641065 0.70 MEN1 (0.60) MEN1LMNAKMT2AL3MBTL1PGR
SCHEMBL8886284 0.67 MEN1 (0.77) DAOAURKAMEN1LMNAKMT2A
SCHEMBL8883239 0.67 KMT2A (0.63) DAOAURKAMEN1LMNAKMT2A
SCHEMBL31743953 0.67 MEN1 (0.77) DAOAURKAMEN1LMNAKMT2A
SCHEMBL20844646 0.67 KEAP1 (0.46) MEN1LMNAKMT2AL3MBTL1SIRT1
SCHEMBL640677 0.66 HSP90AA1 (0.44) MEN1LMNAKMT2AL3MBTL1GRIN2D

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
US-8119676-B2 Substituted benzimidazolone derivatives, medicaments comprising them and their use Abbott GmbH & Co. HG (DE) 2012-02-21 US disclosed