SCHEMBL24969559

SCHEMBL24969559

N#Cc1cc(N)ccc1OCc1cccc(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.60
MRGPRX4 Q96LA9 4/20 0.57
IDO1 P14902 2/20 0.50
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NR4A2 P43354 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
SLC6A4 P31645 2/20 0.44

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
SCHEMBL30152232 1.00 MAOB (0.60) MAOBMRGPRX4IDO1ALDH1A1GAA
SCHEMBL30013585 0.83 MAOB (0.57) MAOBMRGPRX4IDO1ALDH1A1KDM4E
SCHEMBL4416180 0.83 MAOB (0.57) MAOBMRGPRX4IDO1ALDH1A1KDM4E
SCHEMBL8807037 0.81 MAOB (0.60) MAOBALDH1A1GAAL3MBTL1KDM4E
SCHEMBL2749493 0.81 MRGPRX4 (0.81) MAOBMRGPRX4IDO1
SCHEMBL2332329 0.80 MRGPRX4 (0.56) MAOBMRGPRX4SLC6A4
SCHEMBL22937898 0.78 MRGPRX4 (0.71) MAOBMRGPRX4
SCHEMBL23592034 0.78 MRGPRX4 (0.63) MAOBMRGPRX4ALDH1A1GAAL3MBTL1
SCHEMBL29824921 0.78 MRGPRX4 (0.63) MAOBMRGPRX4ALDH1A1GAAL3MBTL1
SCHEMBL23579297 0.78 MRGPRX4 (0.47) MAOBMRGPRX4ALDH1A1GAAL3MBTL1

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