SCHEMBL9683669

SCHEMBL9683669

COc1cc(OC)nc(Oc2cccc(Cl)c2C(=O)Oc2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.56
CYP2C9 P11712 3/20 0.56
CYP2C19 P33261 3/20 0.56
NPSR1 Q6W5P4 2/20 0.56
ATM Q13315 1/20 0.56
CYP3A4 P08684 2/20 0.52
GAA P10253 1/20 0.48
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL9682647 0.91 PTPN7 (0.45) CYP1A2CYP2C9CYP2C19NPSR1ATM
SCHEMBL9379016 0.86 CYP1A2 (0.64) CYP1A2CYP2C9CYP2C19NPSR1ATM
SCHEMBL9683894 0.85 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19NPSR1ATM
SCHEMBL9683913 0.82 PTPN7 (0.43) GAAALDH1A1SMN1; SMN2
SCHEMBL9683663 0.81 MAPT (0.42) CYP1A2CYP2C9CYP2C19NPSR1ATM
SCHEMBL9045943 0.80 NPSR1 (0.62) CYP1A2CYP2C9CYP2C19NPSR1ATM
SCHEMBL8939153 0.78 NPSR1 (0.60) CYP1A2CYP2C9CYP2C19NPSR1ATM
SCHEMBL12204321 0.78 PTPN7 (0.60) NPSR1GAAALDH1A1SMN1; SMN2
SCHEMBL9622844 0.77 NPSR1 (0.58) CYP1A2CYP2C9CYP2C19NPSR1ATM
SCHEMBL9622225 0.77 NPSR1 (0.58) CYP1A2CYP2C9CYP2C19NPSR1ATM

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