SCHEMBL24969080

SCHEMBL24969080

C=CC(=O)Nc1ccc(OCc2cccc(F)c2)c(C2CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.56
ERBB2 P04626 6/20 0.56
ERBB4 Q15303 1/20 0.56
MRGPRX4 Q96LA9 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.44
HTR6 P50406 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
LRRK2 Q5S007 1/20 0.42
JAK3 P52333 1/20 0.42
HTR1A P08908 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 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
SCHEMBL30152362 1.00 EGFR (0.56) EGFRERBB2ERBB4MRGPRX4PTGDR2
SCHEMBL24969075 0.95 EGFR (0.53) EGFRERBB2ERBB4MRGPRX4PTGDR2
SCHEMBL24969094 0.85 EGFR (0.61) EGFRERBB2ERBB4LRRK2JAK3
SCHEMBL24968809 0.83 EGFR (0.75) EGFRERBB2ERBB4
SCHEMBL24968811 0.83 EGFR (0.59) EGFRERBB2ERBB4MRGPRX4MAOB
SCHEMBL24969077 0.82 EGFR (0.58) EGFRERBB2ERBB4
SCHEMBL24969076 0.81 EGFR (0.57) EGFRERBB2ERBB4MRGPRX4MAOB
SCHEMBL24968448 0.80 EGFR (0.56) EGFRERBB2ERBB4MRGPRX4
SCHEMBL30152371 0.80 EGFR (0.56) EGFRERBB2ERBB4MRGPRX4
SCHEMBL24969078 0.80 MAOB (0.55) EGFRMAOAMAOB

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