SCHEMBL9315869

SCHEMBL9315869

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

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 2/20 0.42
MAPT P10636 1/20 0.42
HSD17B10 Q99714 1/20 0.41
TSHR P16473 2/20 0.40
ALOX15 P16050 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
SCHEMBL9316216 0.87 LMNA (0.46) LMNAALDH1A1KDM4ENPC1GAA
SCHEMBL9589152 0.86 GAA (0.55) ALDH1A1KDM4ENPC1GAAMAPT
SCHEMBL9316149 0.85 ALDH1A1 (0.48) ALDH1A1KDM4ENPC1GAAMAPT
SCHEMBL9316356 0.83 ALDH1A1 (0.46) ALDH1A1KDM4ENPC1GAAMAPT
SCHEMBL10568827 0.83 GAA (0.48) LMNAALDH1A1KDM4ENPC1GAA
SCHEMBL11047415 0.80 LMNA (0.46) LMNAALDH1A1KDM4ENPC1GAA
SCHEMBL11326481 0.80 FBP1 (0.54) LMNAALDH1A1KDM4ENPC1GAA
SCHEMBL11326475 0.80 FBP1 (0.54) LMNAALDH1A1KDM4ENPC1GAA
SCHEMBL9315891 0.79 SMN1; SMN2 (0.45) LMNAALDH1A1KDM4ENPC1GAA
SCHEMBL11094019 0.78 GAA (0.49) LMNAALDH1A1KDM4ENPC1GAA

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 2 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 disclosed
US-5270288-A Herbicidal N-azinyl-N'-(2-ethylsulphinyl-phenylsulphonyl)-ureas BAYER AKTIENGESELLSCHAFT (DE) 1993-12-14 US disclosed