SCHEMBL4034870

SCHEMBL4034870

Cc1noc(-c2ccc(F)cc2)c1NC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
KDM4E B2RXH2 3/20 0.52
LPAR1 Q92633 4/20 0.51
LPAR3 Q9UBY5 2/20 0.51
CYP2C9 P11712 3/20 0.45
CYP1A2 P05177 2/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ABCC3 O15438 1/20 0.43
ABCC4 O15439 1/20 0.43
ABCB11 O95342 1/20 0.43
CYP2C8 P10632 1/20 0.43
ABCB4 P21439 1/20 0.43
ABCC2 Q92887 1/20 0.43
SLCO1B3 Q9NPD5 1/20 0.43
SLCO1B1 Q9Y6L6 1/20 0.43
HTT P42858 1/20 0.42
LPAR2 Q9HBW0 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
SCHEMBL4037272 0.88 MAPT (0.54) MAPTKDM4ELPAR1LPAR3CYP2C9
SCHEMBL2761636 0.86 MAPT (0.53) MAPTKDM4ELPAR1LPAR3CYP2C9
SCHEMBL4035675 0.86 MAPT (0.67) MAPTKDM4ELPAR1LPAR3CYP2C9
SCHEMBL12467498 0.85 MAPT (0.52) MAPTKDM4ELPAR1LPAR3CYP2C9
SCHEMBL3710978 0.85 MAPT (0.52) MAPTKDM4ELPAR1LPAR3CYP2C9
SCHEMBL12465807 0.85 MAPT (0.52) MAPTKDM4ELPAR1LPAR3CYP2C9
SCHEMBL6003 0.85 LPAR1 (0.54) MAPTKDM4ELPAR1LPAR3CYP2C9
SCHEMBL25401241 0.84 MAPT (0.57) MAPTKDM4ELPAR1LPAR3CYP2C9
SCHEMBL4028773 0.83 MAPT (0.53) MAPTKDM4ELPAR1LPAR3CYP2C9
SCHEMBL4037473 0.83 MAPT (0.51) MAPTKDM4ELPAR1LPAR3CYP1A2

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
EP-1258484-B1 NOVEL ISOXAZOLE AND THIAZOLE COMPOUNDS AND USE THEREOF AS DRUGS KYOWA HAKKO KIRIN CO LTD (JP) 2009-01-14 EP claimed