SCHEMBL8611084

SCHEMBL8611084

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

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.57
GAA P10253 2/20 0.48
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
USP2 O75604 1/20 0.35
NPC1 O15118 1/20 0.34

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
SCHEMBL5846414 0.84 CDK1 (0.62) CDK1GAAMEN1KMT2ACYP1A2
SCHEMBL8782215 0.84 CDK1 (0.62) CDK1GAAMEN1KMT2ACYP1A2
SCHEMBL10396053 0.84 CDK1 (0.62) CDK1GAAMEN1KMT2ACYP1A2
SCHEMBL5847781 0.83 CDK1 (0.61) CDK1GAAMEN1KMT2ACYP1A2
SCHEMBL6902432 0.83 CDK1 (0.61) CDK1GAAMEN1KMT2ACYP1A2
SCHEMBL5847785 0.83 CDK1 (0.61) CDK1GAACYP1A2TP53GLA
SCHEMBL8536414 0.82 CDK1 (0.80) CDK1GAAMEN1KMT2ACYP1A2
SCHEMBL8507050 0.82 CDK1 (0.56) CDK1GAAMEN1KMT2ACYP1A2
SCHEMBL6910101 0.81 CDK1 (0.75) CDK1GAAMEN1KMT2ACYP1A2
SCHEMBL11385667 0.81 CDK1 (0.57) 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-5849666-A N-substituted hydrazinophenylsulfonylureas, processes for their preparation and their use as herbicides and plant growth regulations HOECHST SCHERING AGREVO GMBH (DE) 1998-12-15 US disclosed