SCHEMBL7814604

SCHEMBL7814604

O=C(O)C(=O)Cc1cc(OCc2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.53
MAPT P10636 3/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ATM Q13315 1/20 0.48
PTPN1 P18031 1/20 0.48
MAOB P27338 3/20 0.48
PKM P14618 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4A O75164 1/20 0.46
LMNA P02545 1/20 0.46
AR P10275 1/20 0.46

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
SCHEMBL5164310 0.91 BACE1 (0.54) BACE1MAPTMEN1KMT2ANPC1
SCHEMBL5991804 0.90 MEN1 (0.51) BACE1MAPTMEN1KMT2ANPC1
SCHEMBL5163093 0.89 BACE1 (0.52) BACE1MAPTMEN1KMT2ANPC1
SCHEMBL5351103 0.89 BACE1 (0.52) BACE1MAPTMEN1KMT2ANPC1
SCHEMBL8191231 0.87 BACE1 (0.45) BACE1MAPTMEN1KMT2ANPC1
SCHEMBL8191227 0.87 BACE1 (0.45) BACE1MAPTMEN1KMT2ANPC1
SCHEMBL8191233 0.87 BACE1 (0.45) BACE1MAPTMEN1KMT2ANPC1
SCHEMBL29901207 0.85 BACE1 (0.53) BACE1MAPTMEN1KMT2ANPC1
SCHEMBL14191577 0.85 BACE1 (0.53) BACE1MAPTMEN1KMT2ANPC1
SCHEMBL6598985 0.83 TSHR (0.49) BACE1MAPTMEN1KMT2ANPC1

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