SCHEMBL4032394

SCHEMBL4032394

CCNCc1ccc(-c2onc(C)c2N(C(=O)O)C(C)c2ccccc2Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 8/20 0.47
LPAR3 Q9UBY5 4/20 0.47
LPAR2 Q9HBW0 2/20 0.47
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HSP90AA1 P07900 3/20 0.34
HSP90AB1 P08238 3/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
RORC P51449 2/20 0.33
STAT3 P40763 1/20 0.33

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
SCHEMBL4036696 0.91 LPAR1 (0.44) LPAR1LPAR3LPAR2MEN1KMT2A
SCHEMBL4034939 0.90 LPAR1 (0.45) LPAR1LPAR3LPAR2MEN1KMT2A
SCHEMBL4028841 0.88 LPAR1 (0.43) LPAR1LPAR3LPAR2MEN1KMT2A
SCHEMBL4032920 0.88 ATM (0.44) LPAR1LPAR3LPAR2MEN1KMT2A
SCHEMBL4034499 0.88 LPAR1 (0.48) LPAR1LPAR3LPAR2MEN1KMT2A
SCHEMBL4036454 0.87 LPAR1 (0.43) LPAR1LPAR3LPAR2MEN1KMT2A
SCHEMBL4034108 0.86 LPAR1 (0.44) LPAR1LPAR3LPAR2MEN1KMT2A
SCHEMBL4034918 0.86 LPAR1 (0.45) LPAR1LPAR3LPAR2
SCHEMBL4030241 0.86 LPAR1 (0.42) LPAR1LPAR3LPAR2KDM4E
SCHEMBL4034159 0.85 LPAR1 (0.44) LPAR1LPAR3LPAR2MEN1KMT2A

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