SCHEMBL9706364

SCHEMBL9706364

N#Cc1ccc(OCc2ccccc2)c(F)c1F

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.58
XDH P47989 2/20 0.49
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
PGGT1B P53609 1/20 0.45
SGMS2 Q8NHU3 1/20 0.45
FFAR1 O14842 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
MRGPRX4 Q96LA9 1/20 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
SCHEMBL30257271 0.89 SGMS2 (0.52) MAOBXDHFNTAFNTBPGGT1B
SCHEMBL25079152 0.89 SGMS2 (0.52) MAOBXDHFNTAFNTBPGGT1B
SCHEMBL31114134 0.88 MAOB (0.55) MAOBXDHFNTAFNTBPGGT1B
SCHEMBL10418833 0.84 FFAR1 (0.43) MAOBXDHFFAR1FFAR4MRGPRX4
SCHEMBL23874972 0.83 XDH (0.55) MAOBXDHFFAR1FFAR4MRGPRX4
SCHEMBL379218 0.83 MAOB (0.60) MAOBXDHFFAR1FFAR4
SCHEMBL10417943 0.82 FFAR1 (0.47) MAOBXDHFFAR1FFAR4MRGPRX4
SCHEMBL10418206 0.82 MAOB (0.47) MAOBXDHFFAR1FFAR4
SCHEMBL10418257 0.81 XDH (0.45) MAOBXDHFFAR1FFAR4
SCHEMBL10416505 0.80 FFAR1 (0.45) MAOBXDHFFAR1FFAR4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0500210-A2 Liquid crystal compounds and compositions SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1992-08-26 EP disclosed
US-4925590-A Derivatives of 4-cyano-2,3-difluorophenol MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-05-15 US disclosed