SCHEMBL7877620

SCHEMBL7877620

COC(=O)c1ccc(NN=CC(=O)OCCC#N)cc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.53
GAA P10253 1/20 0.41
TP53 P04637 1/20 0.33
GLA P06280 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
USP2 O75604 1/20 0.30

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
SCHEMBL7877624 0.88 CDK1 (0.53) CDK1GAATP53GLAMAPT
SCHEMBL7877909 0.83 CDK1 (0.51) CDK1GAATP53GLAMAPT
SCHEMBL9198868 0.80 CDK1 (0.56) CDK1GAATP53GLAMAPT
SCHEMBL9198864 0.80 CDK1 (0.56) CDK1GAATP53GLAMAPT
SCHEMBL7877614 0.79 HPGD (0.51) CDK1GAAMAPTMEN1KMT2A
SCHEMBL7877627 0.79 HPGD (0.51) CDK1GAAMAPTMEN1KMT2A
SCHEMBL8536414 0.79 CDK1 (0.80) CDK1GAATP53GLAMAPT
SCHEMBL8782215 0.77 CDK1 (0.62) CDK1GAATP53GLAMAPT
SCHEMBL5846414 0.77 CDK1 (0.62) CDK1GAATP53GLAMAPT
SCHEMBL10396053 0.77 CDK1 (0.62) CDK1GAATP53GLAMAPT

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