SCHEMBL10455437

SCHEMBL10455437

CCOc1ccccc1S(=O)(=O)NC(=O)Nc1nc(Cl)cc(OC)n1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.54
NPC1 O15118 1/20 0.54
GAA P10253 2/20 0.52
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
CDK1 P06493 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
TP53 P04637 2/20 0.43
GLA P06280 1/20 0.43
MEN1 O00255 1/20 0.41
PABPC1 P11940 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL5703485 0.94 GAA (0.58) ALDH1A1KDM4ENPC1GAAMAPT
SCHEMBL6906447 0.93 GAA (0.60) ALDH1A1KDM4ENPC1GAAMAPT
SCHEMBL6906441 0.93 GAA (0.57) ALDH1A1KDM4ENPC1GAAMAPT
SCHEMBL10968644 0.90 GAA (0.50) ALDH1A1KDM4ENPC1GAAMAPT
SCHEMBL10455589 0.86 GAA (0.53) ALDH1A1KDM4ENPC1GAAMAPT
SCHEMBL10914851 0.85 GAA (0.53) ALDH1A1KDM4ENPC1GAAMAPT
SCHEMBL10728126 0.84 GAA (0.55) ALDH1A1KDM4ENPC1GAAMAPT
SCHEMBL10855888 0.84 GAA (0.50) ALDH1A1KDM4ENPC1GAAMAPT
Chlorimuron Ethyl SCHEMBL9141286 0.84 ALDH1A1 (0.48) ALDH1A1KDM4ENPC1GAAMAPT
Chlorimuron Ethyl SCHEMBL54938 0.84 ALDH1A1 (0.48) ALDH1A1KDM4ENPC1GAAMAPT

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-0122231-B1 HERBICIDAL AGENT CIBA-GEIGY AG (CH) 1990-01-17 EP claimed