SCHEMBL9216591

SCHEMBL9216591

COc1cc(OC)nc(Oc2ccccc2C(=O)ON(C)S(C)(=O)=O)n1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.60
ALDH1A1 P00352 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
CYP1A2 P05177 3/20 0.58
CYP2C9 P11712 3/20 0.58
CYP2C19 P33261 3/20 0.58
CYP3A4 P08684 2/20 0.58
ATM Q13315 1/20 0.57
GAA P10253 1/20 0.56

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
SCHEMBL9377431 0.87 NPSR1 (0.66) NPSR1ALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL9221522 0.85 CYP1A2 (0.45) NPSR1ALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL9215188 0.84 ALDH1A1 (0.47) NPSR1ALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL9222225 0.83 CTSA (0.46) NPSR1ALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL9222312 0.83 CYP1A2 (0.46) NPSR1ALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL9215199 0.82 NPSR1 (0.53) NPSR1ALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL9218334 0.82 CYP1A2 (0.44) NPSR1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL9545929 0.81 NPSR1 (0.72) NPSR1ALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL2976362 0.81 ALDH1A1 (0.85) NPSR1ALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL9217884 0.80 CYP1A2 (0.41) NPSR1ALDH1A1SMN1; SMN2CYP1A2CYP2C9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4235171-A None JP disclosed
EP-0468690-B1 Pyrimidine derivatives SUMITOMO CHEMICAL CO (JP) 1995-05-31 EP disclosed
JP-H04235171-A SULFOHYDROXAMIC ACID DERIVATIVE, PRODUCTION THEREOF AND HERBICIDE CONTAINING THE SAME DERIVATIVE AS ACTIVE INGREDIENT SUMITOMO CHEM CO LTD 1992-08-24 JP disclosed
US-5129938-A Herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-07-14 US disclosed
EP-0468690-A1 Pyrimidine derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-01-29 EP disclosed