SCHEMBL9835883

SCHEMBL9835883

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.55
GAA P10253 1/20 0.54
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 3/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
CYP1A2 P05177 1/20 0.41
LMNA P02545 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KMT2A Q03164 1/20 0.38
AGER Q15109 1/20 0.38

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
SCHEMBL9814877 0.92 CDK1 (0.55) CDK1GAANPC1RAB9AMAPT
SCHEMBL9814822 0.90 GAA (0.44) CDK1GAANPC1RAB9AMAPT
SCHEMBL11378540 0.86 CDK1 (0.57) CDK1GAAMAPTTP53GLA
SCHEMBL9826663 0.85 GAA (0.50) CDK1GAAMAPTTP53GLA
SCHEMBL10469643 0.83 GAA (0.59) CDK1GAAMAPTTP53GLA
SCHEMBL10839261 0.83 CDK1 (0.55) CDK1GAAMAPTTP53GLA
SCHEMBL3306857 0.82 CDK1 (0.61) CDK1GAAMAPTTP53GLA
SCHEMBL4887087 0.81 GAA (0.49) CDK1GAANPC1MAPTTP53
SCHEMBL9827880 0.81 GAA (0.54) CDK1GAAMAPTTP53GLA
SCHEMBL11378542 0.80 CDK1 (0.52) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0162723-B1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-05-29 EP claimed
EP-0162723-A2 Herbicidal sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-11-27 EP claimed
EP-0162723-B1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-05-29 EP disclosed
EP-0162723-A2 Herbicidal sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-11-27 EP disclosed