SCHEMBL640633

SCHEMBL640633

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

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
B3GNT2 Q9NY97 13/20 0.54
DAO P14920 1/20 0.52
MDM2 Q00987 2/20 0.48
PGR P06401 3/20 0.48
PSMB8 P28062 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
SCHEMBL639581 0.83 DAO (0.55) B3GNT2DAOMDM2PGRPSMB8
SCHEMBL640651 0.80 POLB (0.59) B3GNT2DAOMDM2
SCHEMBL2968866 0.78 PGR (0.72) B3GNT2DAOPGRPSMB8
SCHEMBL640117 0.77 DAO (0.51) B3GNT2DAOMDM2PGR
SCHEMBL640608 0.76 MDM2 (0.65) DAOMDM2PGR
SCHEMBL319785 0.76 DAO (0.52) B3GNT2DAOPGRPSMB8
SCHEMBL27755968 0.75 B3GNT2 (0.44) B3GNT2DAOMDM2PGR
SCHEMBL641668 0.74 GABRP (0.51) B3GNT2DAOMDM2PGR
SCHEMBL640979 0.73 CBX7 (0.44) B3GNT2DAOMDM2PGR
SCHEMBL16997516 0.73 DAO (0.60) DAOPGRPSMB8

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