SCHEMBL4030949

SCHEMBL4030949

Cc1noc(-c2ccc(CSCCCl)cc2)c1N(C(=O)O)C(C)c1ccccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 10/20 0.53
LPAR3 Q9UBY5 3/20 0.53
LPAR2 Q9HBW0 2/20 0.53
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 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
SCHEMBL4033577 0.93 LPAR1 (0.53) LPAR1LPAR3LPAR2LMNAMEN1
SCHEMBL4034953 0.91 LPAR1 (0.52) LPAR1LPAR3LPAR2MEN1KMT2A
SCHEMBL4031859 0.91 LPAR1 (0.51) LPAR1LPAR3LPAR2MEN1KMT2A
SCHEMBL4034499 0.88 LPAR1 (0.48) LPAR1LPAR3LPAR2MEN1KMT2A
SCHEMBL4032135 0.87 LPAR1 (0.49) LPAR1LPAR3LPAR2KMT2AALDH1A1
SCHEMBL4033590 0.86 LPAR1 (0.47) LPAR1LPAR3LPAR2LMNAALDH1A1
SCHEMBL4031276 0.86 LPAR1 (0.46) LPAR1LPAR3LPAR2LMNAMEN1
SCHEMBL4034108 0.85 LPAR1 (0.44) LPAR1LPAR3LPAR2LMNAMEN1
SCHEMBL4036926 0.84 LPAR1 (0.46) LPAR1LPAR3LPAR2LMNAMEN1
SCHEMBL4034159 0.84 LPAR1 (0.44) LPAR1LPAR3LPAR2LMNAMEN1

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