SCHEMBL4027976

SCHEMBL4027976

Cc1noc(-c2ccc(C#N)cc2)c1NC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
TRPA1 O75762 2/20 0.48
LPAR1 Q92633 4/20 0.48
LPAR3 Q9UBY5 2/20 0.48
ALDH1A1 P00352 3/20 0.47
PKM P14618 1/20 0.47
ABCC3 O15438 1/20 0.41
ABCC4 O15439 1/20 0.41
ABCB11 O95342 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2C9 P11712 1/20 0.41
ABCB4 P21439 1/20 0.41
ABCC2 Q92887 1/20 0.41
SLCO1B3 Q9NPD5 1/20 0.41
SLCO1B1 Q9Y6L6 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
TP53 P04637 2/20 0.40
LPAR2 Q9HBW0 1/20 0.40
IDO1 P14902 1/20 0.39

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
SCHEMBL4031154 0.85 ALDH1A1 (0.41) MAPTKDM4ETRPA1ALDH1A1PKM
SCHEMBL4037272 0.84 MAPT (0.54) MAPTKDM4ELPAR1LPAR3ALDH1A1
SCHEMBL2761636 0.82 MAPT (0.53) MAPTKDM4ELPAR1LPAR3ALDH1A1
SCHEMBL4035675 0.82 MAPT (0.67) MAPTKDM4ELPAR1LPAR3ALDH1A1
SCHEMBL15013106 0.82 LPAR1 (0.50) MAPTKDM4ETRPA1LPAR1LPAR3
SCHEMBL4034870 0.81 MAPT (0.52) MAPTKDM4ELPAR1LPAR3ALDH1A1
SCHEMBL3710978 0.81 MAPT (0.52) MAPTKDM4ELPAR1LPAR3ALDH1A1
SCHEMBL12467498 0.81 MAPT (0.52) MAPTKDM4ELPAR1LPAR3ALDH1A1
SCHEMBL12465807 0.81 MAPT (0.52) MAPTKDM4ELPAR1LPAR3ALDH1A1
SCHEMBL6003 0.81 LPAR1 (0.54) MAPTKDM4ELPAR1LPAR3ALDH1A1

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