SCHEMBL24968495

SCHEMBL24968495

C=CC(=O)Nc1ccc(OCc2cccc(C(F)(F)F)c2)cc1C#N

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.52
MAPT P10636 2/20 0.52
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAOB P27338 8/20 0.51
POLB P06746 1/20 0.50
FFAR1 O14842 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
MRGPRX4 Q96LA9 3/20 0.47
SPHK2 Q9NRA0 1/20 0.43
SPHK1 Q9NYA1 1/20 0.43
PDGFRA P16234 1/20 0.43
S1PR1 P21453 1/20 0.43
S1PR5 Q9H228 1/20 0.43

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
SCHEMBL24968483 0.87 FGFR4 (0.41) NR4A2MAPTHTTL3MBTL1MAOB
SCHEMBL24968481 0.80 EGFR (0.47) NR4A2L3MBTL1MAOBFFAR4MRGPRX4
SCHEMBL30152313 0.80 EGFR (0.47) NR4A2L3MBTL1MAOBFFAR4MRGPRX4
SCHEMBL29824938 0.78 L3MBTL1 (0.50) NR4A2MAPTHTTL3MBTL1MAOB
SCHEMBL23591751 0.78 L3MBTL1 (0.50) NR4A2MAPTHTTL3MBTL1MAOB
SCHEMBL3042071 0.74 MAOB (0.58) NR4A2MAPTHTTL3MBTL1MAOB
SCHEMBL24968496 0.73 MAOB (0.57) NR4A2MAOBMRGPRX4
SCHEMBL29824502 0.72 MRGPRX4 (0.59) NR4A2L3MBTL1MAOBFFAR4MRGPRX4
SCHEMBL23591727 0.72 MRGPRX4 (0.59) NR4A2L3MBTL1MAOBFFAR4MRGPRX4
SCHEMBL24969151 0.71 S1PR1 (0.52) NR4A2L3MBTL1MAOBFFAR4MRGPRX4

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