SCHEMBL9201412

SCHEMBL9201412

COC(=O)c1ccc(NO)cc1S(=O)(=O)NC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPT P10636 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 2/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA5A P35218 1/20 0.41
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 1/20 0.39
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 2/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
CA12 O43570 1/20 0.37
CA7 P43166 1/20 0.37
PDK2 Q15119 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
SCHEMBL8661923 0.89 CDK1 (0.43) CDK1ALDH1A1MAPTMEN1KMT2A
SCHEMBL7953153 0.87 CA1 (0.43) CDK1ALDH1A1MAPTMEN1KMT2A
SCHEMBL8661476 0.85 CDK1 (0.45) CDK1ALDH1A1MAPTMEN1KMT2A
SCHEMBL7924986 0.82 LMNA (0.45) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL6151581 0.82 KDM4E (0.52) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL7875914 0.81 GAA (0.54) CDK1ALDH1A1MAPTMEN1KMT2A
SCHEMBL29295507 0.81 NR4A2 (0.43) ALDH1A1CA1CA2CA9CA5A
SCHEMBL8610094 0.81 ALDH1A1 (0.43) CDK1ALDH1A1MAPTMEN1KMT2A
SCHEMBL7944355 0.79 ALDH1A1 (0.40) CDK1ALDH1A1MAPTMEN1KMT2A
SCHEMBL7924819 0.79 KDM4E (0.44) ALDH1A1MAPTMEN1KMT2AHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0660828-A1 HYDROXYL AMINO PHENYL SULPHONYL UREAS, THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS Hoechst Schering AgrEvo GmbH (DE) 1995-07-05 EP disclosed
WO-1994006778-A1 HYDROXYL AMINO PHENYL SULPHONYL UREAS, THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS HOECHST SCHERING AGREVO GMBH (DE) 1994-03-31 WO disclosed