SCHEMBL9316356

SCHEMBL9316356

CC[S+]([O-])c1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.44
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
TP53 P04637 2/20 0.36
CDK1 P06493 1/20 0.34
FBP1 P09467 1/20 0.33

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
SCHEMBL9316149 0.94 ALDH1A1 (0.48) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL9589152 0.85 GAA (0.55) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL26761188 0.83 ALDH1A1 (0.53) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL9315869 0.83 LMNA (0.46) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL19034718 0.82 FBP1 (0.48) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL10566380 0.82 ALDH1A1 (0.48) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL10819030 0.81 ALDH1A1 (0.47) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL10565947 0.81 ALDH1A1 (0.47) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL2994281 0.81 KDM4E (0.47) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL11122289 0.81 ALDH1A1 (0.47) 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
US-5354728-A Herbicidal N-azinyl-N'-(2-ethylsulphinyl-phenylsulphonyl)-ureas BAYER AKTIENGESELLSCHAFT (DE) 1994-10-11 US claimed