SCHEMBL4032395

SCHEMBL4032395

Cc1noc(-c2ccnc(Cl)c2)c1N(C(=O)O)C(C)c1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.40
LPAR3 Q9UBY5 3/20 0.40
LPAR2 Q9HBW0 2/20 0.40
RORC P51449 2/20 0.38
RORB Q92753 2/20 0.38
CTSA P10619 4/20 0.36
KDM4C Q9H3R0 2/20 0.35
KDM5A P29375 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
GRM4 Q14833 1/20 0.32
AAK1 Q2M2I8 1/20 0.32

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
SCHEMBL4032913 0.88 LPAR1 (0.42) LPAR1LPAR3LPAR2CTSAKDM4E
SCHEMBL4034108 0.88 LPAR1 (0.44) LPAR1LPAR3LPAR2KDM4EMAPT
SCHEMBL4035115 0.86 IP6K1 (0.40) LPAR1LPAR3LPAR2RORCCTSA
SCHEMBL4035057 0.86 TP53 (0.41) LPAR1LPAR3LPAR2RORBCTSA
SCHEMBL4028781 0.86 LPAR1 (0.42) LPAR1LPAR3LPAR2CTSAKDM4E
SCHEMBL4030964 0.85 HDAC3 (0.39) LPAR1LPAR3LPAR2CTSAKDM4E
SCHEMBL4034159 0.85 LPAR1 (0.44) LPAR1LPAR3LPAR2CTSAKDM4E
SCHEMBL15437576 0.83 LPAR1 (0.43) LPAR1LPAR3LPAR2KDM4EMAPT
SCHEMBL4032476 0.83 LPAR1 (0.43) LPAR1LPAR3LPAR2CTSAKDM4E
SCHEMBL4032925 0.83 LPAR1 (0.42) LPAR1LPAR3LPAR2RORCMAPT

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