SCHEMBL6945916

SCHEMBL6945916

COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ccccc2N=CN(C)C)n1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 1/20 0.53
▸ GAA P10253 1/20 0.52
▸ MAPT P10636 3/20 0.43
▸ TP53 P04637 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL6945901 1.00 CDK1 (0.53) CDK1GAAMAPTTP53GLA
SCHEMBL10616134 0.83 GAA (0.67) CDK1GAAMAPTTP53GLA
SCHEMBL9826164 0.82 GAA (0.59) CDK1GAAMAPTTP53GLA
SCHEMBL10508252 0.81 GAA (0.58) CDK1GAAMAPTTP53GLA
SCHEMBL7653933 0.81 CDK1 (0.57) CDK1GAAMAPTTP53GLA
SCHEMBL7653952 0.81 CDK1 (0.57) CDK1GAAMAPTTP53GLA
SCHEMBL7658737 0.80 CDK1 (0.68) CDK1GAAMAPTTP53GLA
SCHEMBL7658724 0.80 CDK1 (0.68) CDK1GAAMAPTTP53GLA
SCHEMBL10726598 0.79 GAA (0.47) CDK1GAAMAPTTP53GLA
SCHEMBL10884559 0.79 GAA (0.61) CDK1GAAMAPTTP53GLA

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
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