SCHEMBL7658737

SCHEMBL7658737

COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2cc(N=CN(C)C)ccc2C(=O)N(C)C)n1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 1/20 0.68
▸ GAA P10253 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CYP1A2 P05177 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ KMT2A Q03164 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31

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
SCHEMBL7658724 1.00 CDK1 (0.68) CDK1GAAL3MBTL1CYP1A2MAPT
SCHEMBL7653952 0.92 CDK1 (0.57) CDK1GAAL3MBTL1CYP1A2MAPT
SCHEMBL7653933 0.92 CDK1 (0.57) CDK1GAAL3MBTL1CYP1A2MAPT
SCHEMBL1652674 0.83 CDK1 (0.76) CDK1GAACYP1A2MAPTTP53
SCHEMBL6105235 0.82 CDK1 (0.82) CDK1GAACYP1A2MAPTTP53
SCHEMBL6105199 0.82 CDK1 (0.72) CDK1GAACYP1A2MAPTTP53
SCHEMBL13043135 0.82 CDK1 (0.80) CDK1GAACYP1A2MAPTTP53
Foramsulfuron SCHEMBL116874 0.81 CDK1 (1.00) CDK1GAACYP1A2MAPTTP53
Foramsulfuron SCHEMBL29419146 0.81 CDK1 (1.00) CDK1GAACYP1A2MAPTTP53
SCHEMBL10509250 0.81 CDK1 (0.70) CDK1GAACYP1A2MAPTTP53

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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