SCHEMBL640777

SCHEMBL640777

CC(C)(C)C(C(=O)O)(c1ccccc1)n1c(=O)[nH]c2ccc(Cl)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.48
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ADORA3 P0DMS8 2/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
ADORA1 P30542 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
GABRA4 P48169 1/20 0.42
GABRE P78334 1/20 0.42
GABRA6 Q16445 1/20 0.42

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
SCHEMBL641033 0.84 DAO (0.45) DAOMEN1KMT2AB3GNT2
SCHEMBL638524 0.82 PGR (0.40) L3MBTL1PGRB3GNT2
SCHEMBL16997516 0.78 DAO (0.60) DAOMEN1LMNAKMT2AL3MBTL1
SCHEMBL7655193 0.70 CA12 (0.58) DAOMEN1LMNAKMT2AAURKA
SCHEMBL8886284 0.70 MEN1 (0.77) DAOMEN1LMNAKMT2AL3MBTL1
SCHEMBL31743953 0.70 MEN1 (0.77) DAOMEN1LMNAKMT2AL3MBTL1
SCHEMBL640633 0.69 B3GNT2 (0.54) DAOMDM2PGRB3GNT2
SCHEMBL640146 0.68 PPARG (0.45) MEN1LMNAKMT2A
SCHEMBL7652823 0.68 CA9 (0.58) MEN1LMNAKMT2AL3MBTL1CA12
SCHEMBL319785 0.67 DAO (0.52) DAOADORA3GABRPGABRDGABRA1

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