SCHEMBL4033611

SCHEMBL4033611

CCc1noc(-c2ccc(CCl)cc2)c1NC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.40
MAPT P10636 4/20 0.39
KDM4E B2RXH2 1/20 0.39
LPAR3 Q9UBY5 3/20 0.39
LPAR2 Q9HBW0 2/20 0.39
NPC1 O15118 7/20 0.39
RAB9A P51151 7/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
TP53 P04637 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALOX5 P09917 1/20 0.35

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
SCHEMBL3706068 0.86 MAPT (0.52) LPAR1MAPTKDM4ELPAR3LPAR2
SCHEMBL4034308 0.85 KDM4E (0.49) LPAR1MAPTKDM4ELPAR3NPC1
SCHEMBL4304 0.84 RAB9A (0.40) LPAR1MAPTKDM4ELPAR3NPC1
SCHEMBL4031154 0.81 ALDH1A1 (0.41) MAPTKDM4ESMN1; SMN2TP53ALDH1A1
SCHEMBL4029487 0.79 LPAR1 (0.48) LPAR1MAPTKDM4ELPAR3LPAR2
SCHEMBL4028539 0.77 LPAR1 (0.53) LPAR1LPAR3LPAR2
SCHEMBL4037667 0.73 LPAR1 (0.48) LPAR1MAPTKDM4ELPAR3LPAR2
SCHEMBL4032753 0.73 TP53 (0.53) LPAR1MAPTKDM4ELPAR3LPAR2
SCHEMBL3702392 0.72 BACE1 (0.40) LPAR1MAPTKDM4ELPAR3LPAR2
SCHEMBL4036888 0.72 LPAR1 (0.47) LPAR1MAPTKDM4ELPAR3LPAR2

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