SCHEMBL4032920

SCHEMBL4032920

Cc1noc(-c2ccc(CNCc3ccco3)cc2)c1N(C(=O)O)C(C)c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
LPAR1 Q92633 2/20 0.43
LPAR2 Q9HBW0 2/20 0.43
LPAR3 Q9UBY5 2/20 0.43
TSHR P16473 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
ALOX15 P16050 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
RECQL P46063 1/20 0.37
BCL2L1 Q07817 1/20 0.37
MCL1 Q07820 1/20 0.37

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
SCHEMBL4032394 0.88 LPAR1 (0.47) LPAR1LPAR2LPAR3MEN1KMT2A
SCHEMBL4033590 0.87 LPAR1 (0.47) LPAR1LPAR2LPAR3TSHRSMN1; SMN2
SCHEMBL4033523 0.87 LPAR1 (0.43) LPAR1LPAR2LPAR3TSHRSMN1; SMN2
SCHEMBL4034939 0.86 LPAR1 (0.45) LPAR1LPAR2LPAR3MEN1KMT2A
SCHEMBL4028841 0.85 LPAR1 (0.43) LPAR1LPAR2LPAR3TSHRSMN1; SMN2
SCHEMBL4036696 0.84 LPAR1 (0.44) LPAR1LPAR2LPAR3SMN1; SMN2MEN1
SCHEMBL4034499 0.83 LPAR1 (0.48) LPAR1LPAR2LPAR3MEN1KMT2A
SCHEMBL4036454 0.83 LPAR1 (0.43) LPAR1LPAR2LPAR3SMN1; SMN2MEN1
SCHEMBL4034108 0.82 LPAR1 (0.44) LPAR1LPAR2LPAR3SMN1; SMN2MEN1
SCHEMBL4030241 0.82 LPAR1 (0.42) ATMLPAR1LPAR2LPAR3TSHR

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