SCHEMBL9316207

SCHEMBL9316207

CCCSc1ccccc1S(=O)(=O)NC(=O)Nc1nc(OC)nc(OC)n1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.39
TP53 P04637 2/20 0.38
PTGS2 P35354 1/20 0.38
CDK1 P06493 1/20 0.36
RAB9A P51151 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
SCHEMBL9316275 0.91 ALDH1A1 (0.50) ALDH1A1NPC1KDM4EMAPTSMN1; SMN2
SCHEMBL10806553 0.85 ALDH1A1 (0.45) ALDH1A1NPC1KDM4EMAPTSMN1; SMN2
SCHEMBL10455588 0.85 ALDH1A1 (0.45) ALDH1A1NPC1KDM4EMAPTSMN1; SMN2
SCHEMBL9242444 0.85 ALDH1A1 (0.45) ALDH1A1NPC1KDM4EMAPTSMN1; SMN2
SCHEMBL10972036 0.85 ALDH1A1 (0.43) ALDH1A1NPC1KDM4EMAPT
SCHEMBL10568037 0.82 ALDH1A1 (0.52) ALDH1A1NPC1KDM4EMAPTSMN1; SMN2
SCHEMBL9202681 0.80 MAPT (0.43) ALDH1A1NPC1KDM4EMAPTSMN1; SMN2
SCHEMBL10806163 0.80 ALDH1A1 (0.42) ALDH1A1NPC1KDM4EMAPTSMN1; SMN2
SCHEMBL10918045 0.80 ALDH1A1 (0.58) ALDH1A1NPC1KDM4EMAPTSMN1; SMN2
SCHEMBL9699387 0.80 GAA (0.53) ALDH1A1NPC1KDM4EMAPTSMN1; SMN2

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