SCHEMBL10080581

SCHEMBL10080581

CCn1ncc(C(=O)c2ccc(S(C)(=O)=O)c([S+](C)[O-])c2C)c1O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
LMNA P02545 1/20 0.34
RAB9A P51151 2/20 0.34
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAPK14 Q16539 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
SCHEMBL10872717 0.86 LMNA (0.38) SMN1; SMN2ALDH1A1GAAHTTLMNA
SCHEMBL596967 0.85
SCHEMBL8305894 0.84 LMNA (0.34) SMN1; SMN2ALDH1A1GAAHTTLMNA
SCHEMBL12724679 0.84 LMNA (0.36) SMN1; SMN2ALDH1A1GAAHTTLMNA
SCHEMBL8183276 0.83 LMNA (0.36) SMN1; SMN2ALDH1A1GAAHTTLMNA
SCHEMBL7951287 0.83 LMNA (0.38) SMN1; SMN2ALDH1A1GAAHTTLMNA
SCHEMBL1882413 0.82 LMNA (0.35) SMN1; SMN2ALDH1A1GAAHTTLMNA
SCHEMBL9076455 0.82 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1GAAHTTLMNA
SCHEMBL10053357 0.82 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1GAAHTTLMNA
SCHEMBL1880294 0.81 LMNA (0.37) SMN1; SMN2ALDH1A1GAAHTTLMNA

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
US-8114816-B2 Herbicidally active 4-(3-alkylsulfinylbenzoyl)pyrazoles BAYER CROPSCIENCE AG (DE) 2012-02-14 US disclosed