SCHEMBL4033894

SCHEMBL4033894

COc1ccc(-c2onc(C)c2N(C(=O)O)C(C)c2ccccc2Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.44
LPAR3 Q9UBY5 3/20 0.44
LPAR2 Q9HBW0 2/20 0.44
SLC6A9 P48067 1/20 0.42
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CTSA P10619 3/20 0.38
KMT2A Q03164 2/20 0.37
BRD4 O60885 1/20 0.37
BACE1 P56817 1/20 0.37
MEN1 O00255 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 1/20 0.35
HPGD P15428 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
SCHEMBL4034108 0.91 LPAR1 (0.44) LPAR1LPAR3LPAR2LMNANPSR1
SCHEMBL4034159 0.90 LPAR1 (0.44) LPAR1LPAR3LPAR2LMNANPSR1
SCHEMBL4030024 0.89 LPAR1 (0.42) LPAR1LPAR3LPAR2NPSR1GPBAR1
SCHEMBL15437576 0.88 LPAR1 (0.43) LPAR1LPAR3LPAR2LMNAKMT2A
SCHEMBL4032476 0.88 LPAR1 (0.43) LPAR1LPAR3LPAR2LMNACTSA
SCHEMBL4029083 0.87 LPAR1 (0.48) LPAR1LPAR3LPAR2KMT2AMEN1
SCHEMBL4032913 0.87 LPAR1 (0.42) LPAR1LPAR3LPAR2LMNANPSR1
SCHEMBL4034499 0.86 LPAR1 (0.48) LPAR1LPAR3LPAR2KMT2AMEN1
SCHEMBL4029159 0.86 LPAR1 (0.47) LPAR1LPAR3LPAR2
SCHEMBL4036790 0.85 TRPA1 (0.46) LPAR1LPAR3LPAR2CTSABRD4

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