SCHEMBL7825489

SCHEMBL7825489

O=C(O)c1ccc(N=Cc2cc([N+](=O)[O-])ccc2O)cc1

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.80
FNTB P49356 1/20 0.80
MAOB P27338 1/20 0.61
ALDH1A1 P00352 6/20 0.60
GAA P10253 3/20 0.60
MAPT P10636 3/20 0.60
HPGD P15428 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
POLB P06746 2/20 0.54
KDM4E B2RXH2 1/20 0.54
NPC1 O15118 1/20 0.54
LMNA P02545 1/20 0.54
RAB9A P51151 1/20 0.54
ERN1 O75460 1/20 0.52
PHGDH O43175 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL7825486 1.00 FNTA (0.80) FNTAFNTBMAOBALDH1A1GAA
SCHEMBL14011737 0.86 FNTA (0.79) FNTAFNTBMAOBALDH1A1GAA
SCHEMBL22611887 0.86 FNTA (0.79) FNTAFNTBMAOBALDH1A1GAA
SCHEMBL22624833 0.86 FNTA (0.70) FNTAFNTBMAOBALDH1A1GAA
SCHEMBL22624782 0.86 FNTA (0.71) FNTAFNTBMAOBALDH1A1GAA
SCHEMBL22624751 0.85 FNTA (0.69) FNTAFNTBMAOBALDH1A1GAA
SCHEMBL12416775 0.84 FNTA (0.76) FNTAFNTBMAOBALDH1A1GAA
SCHEMBL22624809 0.84 FNTA (0.76) FNTAFNTBMAOBALDH1A1GAA
SCHEMBL1950799 0.84 FNTA (0.67) FNTAFNTBMAOBALDH1A1GAA
SCHEMBL1949783 0.84 FNTA (0.67) FNTAFNTBMAOBALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed