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SCHEMBL6443045

SCHEMBL6443045

COC(=O)c1ccc(CNS(C)(=O)=O)cc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1.COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2cc(CNS(C)(=O)=O)ccc2C(=O)O)n1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 1/20 0.49
▸ GAA P10253 1/20 0.47
▸ TP53 P04637 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KMT2A Q03164 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CNR2 P34972 1/20 0.35

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
SCHEMBL13370005 0.96 CDK1 (0.52) CDK1GAATP53GLAMAPT
SCHEMBL116828 0.96 CDK1 (0.52) CDK1GAATP53GLAMAPT
SCHEMBL121017 0.96 CDK1 (0.52) CDK1GAATP53GLAMAPT
SCHEMBL19283719 0.96 CDK1 (0.52) CDK1GAATP53GLAMAPT
SCHEMBL2108886 0.95 CDK1 (0.51) CDK1GAATP53GLAMAPT
SCHEMBL21585569 0.95 CDK1 (0.51) CDK1GAATP53GLAMAPT
Metam SCHEMBL2583507 0.90 CDK1 (0.46) CDK1GAATP53GLAMAPT
SCHEMBL19463933 0.90 CDK1 (0.50) CDK1GAATP53GLAMAPT
SCHEMBL15273260 0.89 CDK1 (0.46) CDK1GAATP53GLAMAPT
SCHEMBL27576751 0.87 CDK1 (0.43) CDK1GAAMAPTKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313367-B1 HERBICIDES BAYER CROPSCIENCE GMBH (DE) 2005-11-09 — — EP disclosed
EP-1313367-A1 HERBICIDES Bayer CropScience GmbH (DE) 2003-05-28 — — EP disclosed
WO-2002007515-A1 HERBICIDES BAYER CROPSCIENCE GMBH (DE) 2002-01-31 — — WO disclosed