SCHEMBL9822901

SCHEMBL9822901

COc1cc(C)nc(NC(=O)NS(=O)(=O)c2c(C)cccc2-c2nnnn2C)n1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.44
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CDK1 P06493 1/20 0.37
TYK2 P29597 1/20 0.35
TP53 P04637 1/20 0.34
GLA P06280 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
ACLY P53396 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
SCHEMBL9822800 0.95 GAA (0.48) GAATSHRSMN1; SMN2CDK1TYK2
SCHEMBL9822839 0.92 GAA (0.42) GAATSHRALOX15
SCHEMBL9822877 0.87 GAA (0.45) GAATSHRSMN1; SMN2CDK1TP53
SCHEMBL9822976 0.82 GAA (0.50) GAACDK1TP53GLAMAPT
SCHEMBL9822721 0.79 GAA (0.45) GAASMN1; SMN2CDK1TP53GLA
SCHEMBL9822821 0.78 GAA (0.43) GAATSHRMAPTALOX15
SCHEMBL11560856 0.75 GAA (0.55) GAATSHRSMN1; SMN2CDK1TP53
SCHEMBL6313355 0.74 GAA (0.57) GAATSHRSMN1; SMN2CDK1TP53
SCHEMBL10735300 0.74 SMN1; SMN2 (0.47) GAATSHRSMN1; SMN2CDK1TP53
SCHEMBL10735590 0.74 SMN1; SMN2 (0.47) GAATSHRSMN1; SMN2CDK1TP53

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-0204513-B1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-07-17 EP claimed
EP-0204513-B1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-07-17 EP disclosed
EP-0204513-A2 Herbicidal sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1986-12-10 EP disclosed