SCHEMBL4033782

SCHEMBL4033782

Cc1onc(-c2ccc([N+](=O)[O-])cc2)c1N(C(=O)O)C(C)c1ccccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.42
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
GABRA5 P31644 1/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.38
HTT P42858 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
PTGS2 P35354 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL4028916 0.89 GAA (0.45) MAPTNPSR1LMNAALDH1A1GAA
SCHEMBL4029082 0.89 GAA (0.45) MAPTNPSR1LMNAALDH1A1GAA
SCHEMBL4029400 0.88 ALDH1A1 (0.43) MAPTNPSR1LMNAALDH1A1GAA
SCHEMBL4034254 0.86 KMT2A (0.44) MAPTNPSR1LMNAALDH1A1GAA
SCHEMBL4034300 0.85 LPAR1 (0.41) MAPK1MAPTNPSR1TDP1LMNA
SCHEMBL15437794 0.85 LPAR1 (0.41) MAPK1MAPTNPSR1TDP1LMNA
SCHEMBL4033798 0.84 MEN1 (0.43) MAPTNPSR1LMNAALDH1A1GAA
SCHEMBL4027632 0.82 LPAR1 (0.39) MAPK1MAPTNPSR1TDP1LMNA
SCHEMBL4027629 0.82 LPAR1 (0.39) MAPK1MAPTNPSR1TDP1LMNA
SCHEMBL4037102 0.81 GPBAR1 (0.49) MAPTNPSR1LMNAALDH1A1GAA

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