SCHEMBL6944634

SCHEMBL6944634

COC(=O)c1cc(N)ccc1S(=O)(=O)NC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.50
CDK1 P06493 1/20 0.43
CA2 P00918 3/20 0.42
CA1 P00915 1/20 0.42
CA5A P35218 1/20 0.42
CA9 Q16790 1/20 0.42
MAPT P10636 4/20 0.40
NSD2 O96028 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 5/20 0.40
HPGD P15428 4/20 0.40
KDM4E B2RXH2 4/20 0.40
HSD17B10 Q99714 3/20 0.40
GLA P06280 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
ATM Q13315 1/20 0.40
CFTR P13569 2/20 0.39
ABL1 P00519 1/20 0.39
PKM P14618 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
SCHEMBL7875914 0.88 GAA (0.54) GAACDK1CA2CA1CA5A
SCHEMBL21962896 0.84 CDK1 (0.44) GAACDK1CA2CA1CA5A
SCHEMBL30827404 0.81 CA2 (0.63) GAACDK1CA2CA1CA5A
SCHEMBL11226378 0.81 CA2 (0.63) GAACDK1CA2CA1CA5A
SCHEMBL7781881 0.81 GAA (0.56) GAACDK1CA2CA1CA5A
SCHEMBL7411337 0.80 GAA (0.54) GAACDK1CA2CA1CA5A
SCHEMBL21962936 0.79 ALDH1A1 (0.41) GAACDK1CA2CA1CA5A
SCHEMBL9714080 0.78 GAA (0.51) GAACDK1CA2CA1CA5A
SCHEMBL14930249 0.77 RAPGEF3 (0.47) GAAMAPTNSD2ALDH1A1HPGD
SCHEMBL21962959 0.77 ALDH1A1 (0.42) GAACDK1CA2MAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912093-B1 (HETERO)ARYL SULPHONYL UREAS WITH AN IMINOFUNCTION, THE PREPARATION AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE GMBH (DE) 2003-08-06 EP disclosed
US-6410482-B1 CONTROLLING WEEDS, GRASSES; COMPOUND CONTAINING PYRIMIDINE RING HOECHST SCHERING AGREVO GMBH (DE) 2002-06-25 US disclosed
EP-0912093-A1 (HETERO)ARYL SULPHONYL UREAS WITH AN IMINOFUNCTION, THE PREPARATION AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS Hoechst Schering AgrEvo GmbH (DE) 1999-05-06 EP disclosed
WO-1997042822-A1 (HETERO)ARYL SULPHONYL UREAS WITH AN IMINOFUNCTION, THE PREPARATION AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS HOECHST SCHERING AGREVO GMBH (DE) 1997-11-20 WO disclosed