SCHEMBL7653933

SCHEMBL7653933

COC(=O)c1ccc(/N=C/N(C)C)cc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 1/20 0.57
▸ GAA P10253 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CYP1A2 P05177 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PTGS1 P23219 1/20 0.32
▸ PTGS2 P35354 1/20 0.32

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
SCHEMBL7653952 1.00 CDK1 (0.57) CDK1GAAL3MBTL1CYP1A2TP53
SCHEMBL7658724 0.92 CDK1 (0.68) CDK1GAAL3MBTL1CYP1A2TP53
SCHEMBL7658737 0.92 CDK1 (0.68) CDK1GAAL3MBTL1CYP1A2TP53
SCHEMBL9080269 0.82 CDK1 (0.62) CDK1GAACYP1A2TP53GLA
SCHEMBL11385667 0.81 CDK1 (0.57) CDK1GAACYP1A2TP53GLA
SCHEMBL6945916 0.81 CDK1 (0.53) CDK1GAAL3MBTL1CYP1A2TP53
SCHEMBL6945901 0.81 CDK1 (0.53) CDK1GAAL3MBTL1CYP1A2TP53
SCHEMBL10395502 0.80 CDK1 (0.56) CDK1GAACYP1A2TP53GLA
SCHEMBL8507050 0.80 CDK1 (0.56) CDK1GAAL3MBTL1CYP1A2TP53
SCHEMBL8536414 0.79 CDK1 (0.80) CDK1GAACYP1A2TP53GLA

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
US-6410482-B1 CONTROLLING WEEDS, GRASSES; COMPOUND CONTAINING PYRIMIDINE RING HOECHST SCHERING AGREVO GMBH (DE) 2002-06-25 — — US disclosed
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