SCHEMBL30596341

SCHEMBL30596341

COc1ccc(CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.59
CYP19A1 P11511 1/20 0.56
ALDH1A1 P00352 4/20 0.56
HTT P42858 2/20 0.55
LARS1 Q9P2J5 2/20 0.53
LMNA P02545 2/20 0.52
MAPT P10636 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
SLC6A3 Q01959 1/20 0.52

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
SCHEMBL29087314 1.00 SMN1; SMN2 (0.59) SMN1; SMN2CYP19A1ALDH1A1HTTLARS1
SCHEMBL28003775 0.83 SMN1; SMN2 (0.74) SMN1; SMN2CYP19A1ALDH1A1HTTLARS1
SCHEMBL28195553 0.81 HTT (0.75) SMN1; SMN2CYP19A1ALDH1A1HTTLMNA
SCHEMBL5597899 0.80 ALDH1A1 (0.72) SMN1; SMN2CYP19A1ALDH1A1HTTLMNA
SCHEMBL28004245 0.80 ALDH1A1 (0.72) SMN1; SMN2CYP19A1ALDH1A1HTTLMNA
SCHEMBL5597888 0.79 GAA (0.71) ALDH1A1HTTLMNA
SCHEMBL13972833 0.78 NAMPT (0.55) SMN1; SMN2CYP19A1ALDH1A1HTTLMNA
SCHEMBL13959238 0.78 NAMPT (0.55) SMN1; SMN2CYP19A1ALDH1A1HTTLMNA
SCHEMBL3913276 0.78 NAMPT (0.57) SMN1; SMN2CYP19A1ALDH1A1HTTLMNA
SCHEMBL28113867 0.78 CA1 (0.64) SMN1; SMN2ALDH1A1HTTLMNA

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
CN-116806217-A Substituted cyclic modulators of protein phosphatase 2A (PP 2A) and methods of use thereof 拉帕塔疗法公司 2023-09-26 CN disclosed