SCHEMBL4033738

SCHEMBL4033738

Cc1noc(-c2ccc(CSc3nc[nH]n3)cc2)c1N(C(=O)O)C(C)c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 12/20 0.44
LPAR3 Q9UBY5 3/20 0.44
LPAR2 Q9HBW0 2/20 0.44
AGTR1 P30556 1/20 0.34
AGTR2 P50052 1/20 0.34
HTT P42858 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
MAPT P10636 3/20 0.30
NPC1 O15118 2/20 0.30
ABCC3 O15438 1/20 0.30
ABCC4 O15439 1/20 0.30
ABCB11 O95342 1/20 0.30
CYP2C8 P10632 1/20 0.30
CYP2C9 P11712 1/20 0.30
ABCB4 P21439 1/20 0.30
ABCC2 Q92887 1/20 0.30
SLCO1B3 Q9NPD5 1/20 0.30
SLCO1B1 Q9Y6L6 1/20 0.30
MEN1 O00255 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL4032295 0.92 LPAR1 (0.38) LPAR1LPAR3LPAR2HTTMAPT
SCHEMBL4031859 0.83 LPAR1 (0.51) LPAR1LPAR3LPAR2MAPTMEN1
SCHEMBL4034499 0.82 LPAR1 (0.48) LPAR1LPAR3LPAR2MAPTMEN1
SCHEMBL4030949 0.82 LPAR1 (0.53) LPAR1LPAR3LPAR2MAPTMEN1
SCHEMBL4033577 0.82 LPAR1 (0.53) LPAR1LPAR3LPAR2MAPTMEN1
SCHEMBL4031276 0.82 LPAR1 (0.46) LPAR1LPAR3LPAR2MAPTABCC3
SCHEMBL4029159 0.81 LPAR1 (0.47) LPAR1LPAR3LPAR2
SCHEMBL4029083 0.81 LPAR1 (0.48) LPAR1LPAR3LPAR2MAPTMEN1
SCHEMBL4034108 0.81 LPAR1 (0.44) LPAR1LPAR3LPAR2MAPTMEN1
SCHEMBL4034953 0.80 LPAR1 (0.52) LPAR1LPAR3LPAR2MAPTMEN1

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