SCHEMBL11045944

SCHEMBL11045944

COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(C(=O)N(C)C)ccc3ccccc23)n1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.59
GAA P10253 1/20 0.51
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
CYP1A2 P05177 1/20 0.39
KMT2A Q03164 2/20 0.38
HCRTR2 O43614 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL11045546 0.89 GAA (0.54) CDK1GAAMAPTTP53GLA
SCHEMBL11041517 0.83 GAA (0.55) CDK1GAAMAPTTP53GLA
SCHEMBL10509250 0.82 CDK1 (0.70) CDK1GAAMAPTTP53GLA
SCHEMBL3688328 0.80 CDK1 (0.61) CDK1GAAMAPTTP53GLA
SCHEMBL1537350 0.80 CDK1 (0.67) CDK1GAAMAPTTP53GLA
SCHEMBL7708124 0.80 CDK1 (0.54) CDK1GAAMAPTTP53GLA
SCHEMBL9718364 0.79 CDK1 (0.63) CDK1GAAMAPTTP53GLA
SCHEMBL9718299 0.79 CDK1 (0.63) CDK1GAAMAPTTP53GLA
SCHEMBL11042157 0.79 MAPT (0.48) CDK1GAAMAPTTP53GLA
SCHEMBL11564241 0.79 GAA (0.59) 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-4460404-A HERBICIDES PLANT GROWTH REGULATORS E. I. DUPONT DE NEMOURS AND COMPANY (US) 1984-07-17 US disclosed
EP-0030141-B1 HERBICIDAL UREAS AND ISOUREAS, PREPARATION, COMPOSITIONS AND USE THEREOF, INTERMEDIATES THEREFOR AND PREPARATION OF SAID INTERMEDIATES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-06-20 EP disclosed
US-4452627-A HERBICIDE, PLANT GROWTH REGULATOR E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-06-05 US disclosed
US-4370479-A PLANT GROWTH REGULATOR E. I. DU PONT DE NEMOURS AND COMPANY (US) 1983-01-25 US disclosed
EP-0030141-A2 Herbicidal ureas and isoureas, preparation, compositions and use thereof, intermediates therefor and preparation of said intermediates E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-06-10 EP disclosed