SCHEMBL9683769

SCHEMBL9683769

COc1cc(OC)nc(Oc2ccccc2C(=O)NS(=O)(=O)C(C)C)n1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPSR1 Q6W5P4 2/20 0.54
CYP1A2 P05177 3/20 0.53
CYP2C9 P11712 3/20 0.53
CYP2C19 P33261 3/20 0.53
CYP3A4 P08684 2/20 0.53
ATM Q13315 1/20 0.52
GAA P10253 1/20 0.51
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL9380603 0.84 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2NPSR1CYP1A2CYP2C9
SCHEMBL9683758 0.82 NPSR1 (0.50) ALDH1A1SMN1; SMN2NPSR1CYP1A2CYP2C9
SCHEMBL9680105 0.80 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2NPSR1CYP1A2CYP2C9
SCHEMBL9591198 0.80 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2NPSR1CYP1A2CYP2C9
SCHEMBL9592372 0.80 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2NPSR1CYP1A2CYP2C9
SCHEMBL2976362 0.79 ALDH1A1 (0.85) ALDH1A1SMN1; SMN2NPSR1CYP1A2CYP2C9
SCHEMBL3886220 0.78 NPSR1 (0.67) ALDH1A1SMN1; SMN2NPSR1CYP1A2CYP2C9
SCHEMBL9590338 0.78 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2NPSR1CYP1A2CYP2C9
SCHEMBL9700123 0.77 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2NPSR1CYP1A2CYP2C9
SCHEMBL9592841 0.76 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2NPSR1CYP1A2CYP2C9

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-5149357-A Herbicidal substituted benzoylsulfonamides FMC CORPORATION (US) 1992-09-22 US disclosed