SCHEMBL4037667

SCHEMBL4037667

CCNCc1ccc(-c2onc(C)c2NC(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.48
MAPT P10636 3/20 0.46
KDM4E B2RXH2 1/20 0.46
LPAR3 Q9UBY5 3/20 0.46
LPAR2 Q9HBW0 2/20 0.45
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ABCC3 O15438 1/20 0.39
ABCC4 O15439 1/20 0.39
ABCB11 O95342 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2C9 P11712 1/20 0.39
ABCB4 P21439 1/20 0.39
ABCC2 Q92887 1/20 0.39
SLCO1B3 Q9NPD5 1/20 0.39
SLCO1B1 Q9Y6L6 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL4029454 0.86 MAPT (0.46) LPAR1MAPTKDM4ELPAR3LPAR2
SCHEMBL3706068 0.83 MAPT (0.52) LPAR1MAPTKDM4ELPAR3LPAR2
SCHEMBL4035059 0.83 ALDH1A1 (0.51) LPAR1MAPTKDM4ELPAR3LPAR2
SCHEMBL4029548 0.83 ATM (0.57) LPAR1MAPTKDM4ELPAR3LPAR2
SCHEMBL4032753 0.82 TP53 (0.53) LPAR1MAPTKDM4ELPAR3LPAR2
SCHEMBL4032063 0.82 LPAR1 (0.47) LPAR1MAPTKDM4ELPAR3LPAR2
SCHEMBL4028419 0.81 LPAR1 (0.51) LPAR1MAPTKDM4ELPAR3LPAR2
SCHEMBL4037272 0.81 MAPT (0.54) LPAR1MAPTKDM4ELPAR3LPAR2
SCHEMBL4033885 0.81 LPAR1 (0.52) LPAR1MAPTKDM4ELPAR3LPAR2
SCHEMBL4034292 0.80 KMT2A (0.49) LPAR1KDM4EKMT2ANPC1RAB9A

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