SCHEMBL7823587

SCHEMBL7823587

O=C(O)/C=C/c1ccc(Oc2cccc(Cl)c2)c([N+](=O)[O-])c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.69
MEN1 O00255 5/20 0.69
KMT2A Q03164 5/20 0.69
LMNA P02545 3/20 0.57
SMN1; SMN2 Q16637 4/20 0.56
PAX8 Q06710 1/20 0.56
PLA2G4A P47712 1/20 0.52
ALDH1A1 P00352 4/20 0.49
MAPK1 P28482 3/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CHEK2 O96017 1/20 0.46
PDE7A Q13946 1/20 0.45
HSP90AA1 P07900 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
EPAS1 Q99814 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
TBXA2R P21731 1/20 0.44
TERT O14746 1/20 0.44
CRHBP P24387 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
SCHEMBL7823591 1.00 MAPT (0.69) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL8100698 0.84 PLA2G4A (0.57) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL3928064 0.83 MAPT (0.74) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL7813059 0.81 MEN1 (0.67) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL7813056 0.81 MEN1 (0.67) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL6829500 0.79 LMNA (0.64) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL6829496 0.79 LMNA (0.64) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL3845633 0.76 MEN1 (0.67) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL2411839 0.76 ALDH1A1 (0.66) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL10415000 0.76 ALDH1A1 (0.66) MAPTMEN1KMT2ALMNASMN1; SMN2

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