SCHEMBL9418679

SCHEMBL9418679

COc1cc(C)nc(NC(=O)NS(=O)(=O)c2ncccc2N(C)C)n1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CDK1 P06493 1/20 0.44
ALOX15 P16050 1/20 0.39
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL8675183 0.94 GAA (0.55) GAATSHRSMN1; SMN2CDK1TP53
SCHEMBL8871761 0.91 GAA (0.46) GAATSHRSMN1; SMN2CDK1ALOX15
SCHEMBL8855127 0.91 GAA (0.46) GAATSHRSMN1; SMN2CDK1ALOX15
SCHEMBL10998786 0.86 GAA (0.50) GAATSHRSMN1; SMN2CDK1ALOX15
SCHEMBL732548 0.85 GAA (0.52) GAACDK1TP53GLAMAPT
SCHEMBL9418698 0.84 GAA (0.48) GAATSHRSMN1; SMN2CDK1ALOX15
SCHEMBL8855373 0.83 GAA (0.50) GAASMN1; SMN2CDK1TP53GLA
SCHEMBL10898222 0.83 GAA (0.53) GAATSHRSMN1; SMN2CDK1ALOX15
SCHEMBL10846075 0.83 GAA (0.49) GAATSHRSMN1; SMN2CDK1ALOX15
SCHEMBL7454655 0.82 GAA (0.45) GAATSHRSMN1; SMN2CDK1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5371060-A PREFERENTIAL WEED CONTROL CIBA-GEIGY CORPORATION (US) 1994-12-06 US disclosed