SCHEMBL7877906

SCHEMBL7877906

CCOC(=O)N(C)N(C#N)c1ccc(C(=O)OC)c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.50
GAA P10253 1/20 0.42
MAPT P10636 3/20 0.33
TP53 P04637 1/20 0.33
GLA P06280 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 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
SCHEMBL7877618 0.82 CDK1 (0.48) CDK1GAAMAPTTP53GLA
SCHEMBL5847237 0.81 CDK1 (0.54) CDK1GAAMAPTTP53GLA
SCHEMBL5847235 0.81 CDK1 (0.54) CDK1GAAMAPTTP53GLA
SCHEMBL9080269 0.79 CDK1 (0.62) CDK1GAAMAPTTP53GLA
SCHEMBL9197645 0.79 CDK1 (0.55) CDK1GAAMAPTTP53GLA
SCHEMBL9202913 0.77 CDK1 (0.55) CDK1GAAMAPTTP53GLA
SCHEMBL8664968 0.76 CDK1 (0.51) CDK1GAAMAPTTP53GLA
SCHEMBL9284934 0.75 CDK1 (0.52) CDK1GAAMAPTTP53GLA
SCHEMBL7877627 0.75 HPGD (0.51) CDK1GAAMAPTKDM4EALDH1A1
SCHEMBL7877614 0.75 HPGD (0.51) CDK1GAAMAPTKDM4EALDH1A1

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-6331506-B1 Disubstituted methylidene hydrazinophenyl sulfonylureas, process for their production and their use as herbicides and plant growth regulators HOECHST SCHERING AGREVO GMBH (DE) 2001-12-18 US disclosed