SCHEMBL10593868

SCHEMBL10593868

COC(CN1C(=O)c2ccccc2C1=O)c1ccc(CC(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ PTGER4 P35408 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CASP3 P42574 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TNF P01375 1/20 0.41
▸ MMP2 P08253 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ AKR1B1 P15121 1/20 0.40

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
SCHEMBL9778019 0.89 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1GAAL3MBTL1
SCHEMBL10594053 0.82 CASP3 (0.43) CA9MAPK1ALDH1A1KMT2AMEN1
SCHEMBL9778058 0.81 ALDH1A1 (0.43) ALDH1A1MAPTTNF
SCHEMBL9777977 0.81 ALDH1A1 (0.49) CA12CA9MAPK1ALDH1A1KMT2A
SCHEMBL10591053 0.76 RPS6KA2 (0.54) MAPK1ALDH1A1KMT2AMEN1GAA
SCHEMBL9778045 0.76 SLC7A5 (0.43) MAPK1ALDH1A1KMT2AMEN1GAA
SCHEMBL9777967 0.74 ALDH1A1 (0.47) MAPK1ALDH1A1KMT2AMEN1GAA
SCHEMBL9778090 0.74 HSD17B10 (0.56) MAPK1ALDH1A1KMT2AMEN1GAA
SCHEMBL17497373 0.71 MAPK1 (0.48) CA12CA9MAPK1ALDH1A1KMT2A
SCHEMBL9880857 0.70 RPS6KA2 (0.50) ALDH1A1KMT2AMEN1HPGDCASP3

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-0345572-A2 Sulfonamide derivatives, their preparation and pharmaceuticals containing them BASF Aktiengesellschaft (DE) 1989-12-13 — — EP disclosed
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