SCHEMBL9021880

SCHEMBL9021880

CCc1nc(NC(=O)NS(=O)(=O)c2ccn(C)c2S(=O)(=O)N(C)C)nc(OC)n1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.37
GAA P10253 1/20 0.37
CDK1 P06493 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.32
TP53 P04637 1/20 0.31
FBP1 P09467 1/20 0.30

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
SCHEMBL9021744 0.82 GAA (0.53) MAPTGAACDK1TP53
SCHEMBL8530141 0.79 ALDH1A1 (0.40) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL10675824 0.75 ALDH1A1 (0.63) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL11088571 0.73 ALDH1A1 (0.47) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL9147445 0.73 ALDH1A1 (0.53) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL10914023 0.72 ALDH1A1 (0.59) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL11088505 0.72 ALDH1A1 (0.61) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL10918045 0.71 ALDH1A1 (0.58) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL10969065 0.70 ALDH1A1 (0.59) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL10814468 0.70 ALDH1A1 (0.62) ALDH1A1KDM4ENPC1MAPTGAA

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
EP-0546082-B1 HERBICIDAL PYRROLESULFONYLUREAS DU PONT (US) 1996-12-18 EP disclosed