SCHEMBL4031276

SCHEMBL4031276

Cc1noc(-c2ccc(CSC(C)c3ccccc3)cc2)c1N(C(=O)O)C(C)c1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 12/20 0.46
LPAR3 Q9UBY5 4/20 0.46
LPAR2 Q9HBW0 2/20 0.46
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
ABCC3 O15438 1/20 0.31
ABCC4 O15439 1/20 0.31
ABCB11 O95342 1/20 0.31
CYP2C8 P10632 1/20 0.31
CYP2C9 P11712 1/20 0.31
ABCB4 P21439 1/20 0.31
ABCC2 Q92887 1/20 0.31
SLCO1B3 Q9NPD5 1/20 0.31
SLCO1B1 Q9Y6L6 1/20 0.31

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
SCHEMBL4031859 0.88 LPAR1 (0.51) LPAR1LPAR3LPAR2MEN1KMT2A
SCHEMBL4034499 0.86 LPAR1 (0.48) LPAR1LPAR3LPAR2MEN1KMT2A
SCHEMBL4033577 0.86 LPAR1 (0.53) LPAR1LPAR3LPAR2MEN1KMT2A
SCHEMBL4030949 0.86 LPAR1 (0.53) LPAR1LPAR3LPAR2MEN1KMT2A
SCHEMBL4034108 0.85 LPAR1 (0.44) LPAR1LPAR3LPAR2MEN1KMT2A
SCHEMBL4034953 0.84 LPAR1 (0.52) LPAR1LPAR3LPAR2MEN1KMT2A
SCHEMBL4034159 0.84 LPAR1 (0.44) LPAR1LPAR3LPAR2MEN1KMT2A
SCHEMBL4032135 0.84 LPAR1 (0.49) LPAR1LPAR3LPAR2KMT2AMAPT
SCHEMBL4029083 0.84 LPAR1 (0.48) LPAR1LPAR3LPAR2MEN1KMT2A
SCHEMBL4033590 0.83 LPAR1 (0.47) LPAR1LPAR3LPAR2MAPTLMNA

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