SCHEMBL9699387

SCHEMBL9699387

COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ccccc2SCCO)n1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
CDK1 P06493 1/20 0.47
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46
GLA P06280 1/20 0.46
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.40

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
SCHEMBL9699312 0.95 TSHR (0.48) GAACDK1MAPTTP53GLA
SCHEMBL9317364 0.89 GAA (0.55) GAACDK1MAPTTP53GLA
SCHEMBL9582715 0.86 GAA (0.58) GAACDK1MAPTTP53GLA
SCHEMBL10964941 0.86 GAA (0.51) GAACDK1MAPTTP53GLA
SCHEMBL10806171 0.86 GAA (0.51) GAACDK1MAPTTP53GLA
SCHEMBL10616134 0.84 GAA (0.67) GAACDK1MAPTTP53GLA
SCHEMBL11124125 0.81 GAA (0.58) GAACDK1MAPTTP53GLA
SCHEMBL10808286 0.81 TSHR (0.47) GAACDK1MAPTTP53GLA
SCHEMBL9316207 0.80 ALDH1A1 (0.48) GAACDK1MAPTTP53KDM4E
SCHEMBL10761368 0.80 GAA (0.56) GAACDK1MAPTTP53GLA

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
WO-1992004454-A1 COMPOUNDS AND CONSTRUCTS FOR PRODUCING MALE STERILE PLANTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-03-19 WO disclosed