SCHEMBL4029412

SCHEMBL4029412

Cc1noc(-c2ccnc(Cl)c2)c1NC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
KDM4E B2RXH2 1/20 0.50
LPAR1 Q92633 5/20 0.46
LPAR3 Q9UBY5 3/20 0.46
LPAR2 Q9HBW0 2/20 0.41
SMARCA2 P51531 4/20 0.41
SMARCA4 P51532 4/20 0.41
ABCC3 O15438 1/20 0.38
ABCC4 O15439 1/20 0.38
ABCB11 O95342 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2C9 P11712 1/20 0.38
ABCB4 P21439 1/20 0.38
ABCC2 Q92887 1/20 0.38
SLCO1B3 Q9NPD5 1/20 0.38
SLCO1B1 Q9Y6L6 1/20 0.38
POLQ O75417 1/20 0.37
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
S1PR1 P21453 1/20 0.36

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
SCHEMBL3823273 0.81 CCNC (0.38) MAPTKDM4ESMARCA2SMARCA4CCNC
SCHEMBL4028773 0.80 MAPT (0.53) MAPTKDM4ELPAR1LPAR3LPAR2
SCHEMBL2761348 0.80 MAPT (0.51) MAPTKDM4ELPAR1LPAR3LPAR2
SCHEMBL4030049 0.80 MAPT (0.60) MAPTKDM4ELPAR1LPAR3LPAR2
SCHEMBL4032399 0.79 LPAR1 (0.67) MAPTKDM4ELPAR1LPAR3LPAR2
SCHEMBL3829385 0.77 POLB (0.51) MAPTSMARCA2SMARCA4CCNCCDK8
SCHEMBL4035675 0.77 MAPT (0.67) MAPTKDM4ELPAR1LPAR3LPAR2
SCHEMBL4034814 0.77 MAPT (0.53) MAPTKDM4ELPAR1LPAR3ABCC3
SCHEMBL12467498 0.76 MAPT (0.52) MAPTKDM4ELPAR1LPAR3LPAR2
SCHEMBL4037272 0.76 MAPT (0.54) MAPTKDM4ELPAR1LPAR3LPAR2

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