SCHEMBL9682647

SCHEMBL9682647

COc1nc(OC)nc(Oc2cccc(Cl)c2C(=O)Oc2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 1/20 0.45
PTPN12 Q05209 1/20 0.45
PTPN22 Q9Y2R2 1/20 0.45
MAPT P10636 5/20 0.44
NPSR1 Q6W5P4 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
ATM Q13315 1/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 3/20 0.43
GAA P10253 2/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
HTT P42858 2/20 0.41
FAAH O00519 1/20 0.41
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL9683669 0.91 CYP1A2 (0.56) NPSR1CYP1A2CYP2C9CYP2C19ATM
SCHEMBL12204321 0.80 PTPN7 (0.60) PTPN7PTPN12PTPN22MAPTNPSR1
SCHEMBL9683894 0.76 CYP1A2 (0.54) MAPTNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL9379016 0.76 CYP1A2 (0.64) NPSR1CYP1A2CYP2C9CYP2C19ATM
SCHEMBL9682580 0.75 CA12 (0.49) NPSR1
SCHEMBL9567412 0.75 NPSR1 (0.44) NPSR1CYP1A2CYP2C9CYP2C19ATM
SCHEMBL9683913 0.74 PTPN7 (0.43) PTPN7PTPN12PTPN22MAPTALDH1A1
SCHEMBL9683663 0.73 MAPT (0.42) PTPN7PTPN12PTPN22MAPTNPSR1
SCHEMBL23142534 0.73 LMNA (0.71) MAPTNPSR1LMNAALDH1A1GAA
SCHEMBL9682835 0.71 KMT2A (0.43) NPSR1ALDH1A1SMN1; SMN2MEN1KMT2A

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