SCHEMBL10839261

SCHEMBL10839261

COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2cc(-c3ccccc3)ccc2C(=O)O)n1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.55
GAA P10253 1/20 0.54
MAPT P10636 3/20 0.47
TP53 P04637 1/20 0.47
GLA P06280 1/20 0.47
ACLY P53396 5/20 0.44
KMT2A Q03164 1/20 0.42
PTGS2 P35354 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL10840557 0.93 CDK1 (0.54) CDK1GAAMAPTTP53GLA
SCHEMBL10469643 0.88 GAA (0.59) CDK1GAAMAPTTP53GLA
SCHEMBL10839581 0.86 MAPT (0.44) CDK1GAAMAPTTP53ACLY
SCHEMBL11378540 0.86 CDK1 (0.57) CDK1GAAMAPTTP53GLA
SCHEMBL9835883 0.83 CDK1 (0.55) CDK1GAAMAPTTP53GLA
SCHEMBL10616134 0.83 GAA (0.67) CDK1GAAMAPTTP53GLA
SCHEMBL10911982 0.82 GAA (0.58) CDK1GAAMAPTTP53GLA
SCHEMBL3306857 0.82 CDK1 (0.61) CDK1GAAMAPTTP53GLA
SCHEMBL29371340 0.82 GAA (0.52) CDK1GAAMAPTTP53GLA
SCHEMBL10506007 0.82 TSHR (0.53) CDK1GAAMAPTTP53GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4602942-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-07-29 US claimed
US-4602942-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-07-29 US disclosed
US-4602942-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-07-29 US disclosed
US-4514213-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-04-30 US disclosed
US-4514213-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-04-30 US disclosed