SCHEMBL4029400

SCHEMBL4029400

Cc1ccc(-c2noc(C)c2N(C(=O)O)C(C)c2ccccc2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
GPBAR1 Q8TDU6 6/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PTGS2 P35354 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL4029082 0.94 GAA (0.45) ALDH1A1GAALMNAMAPTGPBAR1
SCHEMBL4028916 0.94 GAA (0.45) ALDH1A1GAALMNAMAPTGPBAR1
SCHEMBL4034254 0.92 KMT2A (0.44) ALDH1A1GAALMNAMAPTGPBAR1
SCHEMBL4033798 0.90 MEN1 (0.43) ALDH1A1GAALMNAMAPTGPBAR1
SCHEMBL4033782 0.88 MAPK1 (0.42) ALDH1A1GAALMNAMAPTGPBAR1
SCHEMBL4037102 0.86 GPBAR1 (0.49) ALDH1A1GAALMNAMAPTGPBAR1
SCHEMBL4032705 0.85 GPBAR1 (0.48) ALDH1A1GAALMNAMAPTGPBAR1
SCHEMBL4037046 0.85 KMT2A (0.43) ALDH1A1GAALMNAMAPTGPBAR1
SCHEMBL4032656 0.83 MEN1 (0.48) ALDH1A1GAALMNAMAPTGPBAR1
SCHEMBL4037549 0.83 NPSR1 (0.47) ALDH1A1GAAGPBAR1KMT2AMEN1

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