SCHEMBL12337461

SCHEMBL12337461

CCCc1ccc2nc(Cl)c(S(=O)(=O)NC(=O)Nc3nc(CO)cc(CO)n3)n2n1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL169995 0.87 GAA (0.47) ALDH1A1KDM4ENPC1SMN1; SMN2GAA
SCHEMBL13671262 0.84 GAA (0.42) SMN1; SMN2GAA
SCHEMBL14986247 0.83 GAA (0.43) ALDH1A1KDM4ENPC1SMN1; SMN2GAA
SCHEMBL9362787 0.73 GAA (0.46) ALDH1A1KDM4ENPC1SMN1; SMN2GAA
SCHEMBL9367810 0.73 GAA (0.53) SMN1; SMN2GAA
SCHEMBL2066696 0.73 PDE10A (0.37) NPC1
SCHEMBL9367730 0.73 GAA (0.48) ALDH1A1KDM4ENPC1SMN1; SMN2GAA
SCHEMBL2065746 0.72 PDE10A (0.37) NPC1
SCHEMBL9517317 0.70 GAA (0.48) ALDH1A1GAALMNA
SCHEMBL3343785 0.69 GAA (0.49) ALDH1A1KDM4ESMN1; SMN2GAA

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
WO-2011118638-A1 HERBICIDAL COMPOSITION AND METHOD FOR CONTROLLING WEED クミアイ化学工業株式会社 (JP) 2011-09-29 WO disclosed