SCHEMBL30152250

SCHEMBL30152250

C=CC(=O)Nc1ccc(C2CCc3ccccc3C2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 6/20 0.42
EGFR P00533 8/20 0.40
ITK Q08881 5/20 0.40
KMT2A Q03164 1/20 0.39
F13A1 P00488 1/20 0.38
TGM1 P22735 1/20 0.38
BRD4 O60885 2/20 0.37
FGFR4 P22455 2/20 0.36

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
SCHEMBL24968851 1.00 TGM2 (0.42) TGM2EGFRITKKMT2AF13A1
SCHEMBL24969062 0.81 MAOB (0.44) TGM2EGFRITK
SCHEMBL30152292 0.81 MAOB (0.44) TGM2EGFRITK
SCHEMBL28996912 0.75 TGM2 (0.42) TGM2EGFRITKF13A1TGM1
SCHEMBL29369451 0.75 TGM2 (0.42) TGM2EGFRITKF13A1TGM1
SCHEMBL28997055 0.75 TGM2 (0.39) TGM2EGFRITKF13A1TGM1
SCHEMBL26123112 0.73 TGM2 (0.42) TGM2EGFRITKF13A1TGM1
SCHEMBL29369857 0.73 TGM2 (0.42) TGM2EGFRITKF13A1TGM1
SCHEMBL28996930 0.72 TGM2 (0.54) TGM2EGFRITKKMT2AF13A1
SCHEMBL29370301 0.72 TGM2 (0.54) TGM2EGFRITKKMT2AF13A1

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