SCHEMBL24969151

SCHEMBL24969151

C=CC(=O)Nc1ccc(OCc2cccc(C(F)(F)F)c2)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.52
S1PR5 Q9H228 1/20 0.52
EGFR P00533 5/20 0.50
ITK Q08881 2/20 0.49
ERBB2 P04626 2/20 0.49
ERBB4 Q15303 1/20 0.49
TGM2 P21980 1/20 0.48
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LRRK2 Q5S007 2/20 0.47
FFAR4 Q5NUL3 1/20 0.47
MAOB P27338 1/20 0.47
MRGPRX4 Q96LA9 2/20 0.46
KDR P35968 2/20 0.46
TEK Q02763 1/20 0.46
PPIA P62937 1/20 0.46
NR4A2 P43354 1/20 0.46
BRAF P15056 1/20 0.45

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
SCHEMBL24968503 0.87 EGFR (0.52) EGFRITKERBB2ERBB4MRGPRX4
SCHEMBL30152264 0.87 EGFR (0.52) EGFRITKERBB2ERBB4MRGPRX4
SCHEMBL24969094 0.87 EGFR (0.61) EGFRITKERBB2ERBB4TGM2
SCHEMBL24968481 0.86 EGFR (0.47) EGFRERBB2ERBB4TGM2ALDH1A1
SCHEMBL30152313 0.86 EGFR (0.47) EGFRERBB2ERBB4TGM2ALDH1A1
SCHEMBL24969517 0.85 EGFR (0.47) EGFRITKERBB2ERBB4TGM2
SCHEMBL24968812 0.85 EGFR (0.54) S1PR5EGFRITKERBB2ERBB4
SCHEMBL24969052 0.85 EGFR (0.55) EGFRITKERBB2ERBB4L3MBTL1
SCHEMBL24969147 0.85 EGFR (0.54) EGFRITKERBB2ERBB4LRRK2
SCHEMBL24969149 0.82 EGFR (0.48) EGFRITKERBB2ERBB4LRRK2

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