SCHEMBL30152292

SCHEMBL30152292

C=CC(=O)Nc1ccc(C2COc3ccccc3C2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.44
ROCK2 O75116 1/20 0.42
RPS6KB1 P23443 1/20 0.42
TGM2 P21980 3/20 0.41
EGFR P00533 4/20 0.41
MALT1 Q9UDY8 3/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
MAPT P10636 1/20 0.38
ITK Q08881 2/20 0.38
BTK Q06187 1/20 0.38

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
SCHEMBL24969062 1.00 MAOB (0.44) MAOBROCK2RPS6KB1TGM2EGFR
SCHEMBL30152250 0.81 TGM2 (0.42) TGM2EGFRITK
SCHEMBL24968851 0.81 TGM2 (0.42) TGM2EGFRITK
SCHEMBL24969061 0.81 EGFR (0.44) TGM2EGFRMAPTBTK
SCHEMBL24969059 0.78 EGFR (0.42) TGM2EGFRITKBTK
SCHEMBL24968466 0.78 CYP19A1 (0.57) TGM2EGFR
SCHEMBL30152236 0.73 NISCH (0.43) MAOBROCK2HDAC1HDAC2
SCHEMBL24969071 0.73 NISCH (0.43) MAOBROCK2HDAC1HDAC2
SCHEMBL30702607 0.72 NISCH (0.49) ROCK2
SCHEMBL28521235 0.68 TGM2 (0.47) TGM2EGFRITK

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-2023009785-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2023-02-02 WO disclosed