SCHEMBL9316149

SCHEMBL9316149

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

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.47
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 2/20 0.38
CDK1 P06493 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL9316356 0.94 ALDH1A1 (0.46) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL9589152 0.88 GAA (0.55) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL9315869 0.85 LMNA (0.46) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL10568037 0.80 ALDH1A1 (0.52) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL27846651 0.79 ALDH1A1 (0.50) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL10889026 0.79 ALDH1A1 (0.50) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL11124612 0.79 ALDH1A1 (0.50) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL10564311 0.78 ALDH1A1 (0.49) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL11636558 0.78 ALDH1A1 (0.66) ALDH1A1KDM4ENPC1MAPTGAA
SCHEMBL9316275 0.78 ALDH1A1 (0.50) 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 5 patents. 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
JP-5194420-A None JP disclosed
US-5354728-A Herbicidal N-azinyl-N'-(2-ethylsulphinyl-phenylsulphonyl)-ureas BAYER AKTIENGESELLSCHAFT (DE) 1994-10-11 US disclosed
US-5270288-A Herbicidal N-azinyl-N'-(2-ethylsulphinyl-phenylsulphonyl)-ureas BAYER AKTIENGESELLSCHAFT (DE) 1993-12-14 US disclosed
JP-H05194420-A HERBICIDA N-AZINYL-N'-(2-ETHYLSULFINYL-PHENYLSULFONYL)-UREA BAYER AG 1993-08-03 JP disclosed