SCHEMBL7825577

SCHEMBL7825577

O=C(O)CCCC(=O)Nc1cccc([N+](=O)[O-])c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 1.00
MEN1 O00255 9/20 0.74
KMT2A Q03164 9/20 0.74
NPC1 O15118 1/20 0.74
RAB9A P51151 1/20 0.74
ALDH1A1 P00352 5/20 0.70
SMN1; SMN2 Q16637 2/20 0.67
MAPT P10636 3/20 0.64
LMNA P02545 1/20 0.63
POLB P06746 2/20 0.63
DDX3X O00571 1/20 0.61
HTT P42858 1/20 0.61
CTDSP1 Q9GZU7 1/20 0.61
CYP2C9 P11712 1/20 0.61
HPGD P15428 1/20 0.61
CYP2C19 P33261 1/20 0.61

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
SCHEMBL13401351 0.92 L3MBTL1 (0.84) L3MBTL1MEN1KMT2ANPC1RAB9A
SCHEMBL32664264 0.90 L3MBTL1 (0.82) L3MBTL1MEN1KMT2ANPC1RAB9A
SCHEMBL26496469 0.90 L3MBTL1 (0.82) L3MBTL1MEN1KMT2ANPC1RAB9A
SCHEMBL4749309 0.86 L3MBTL1 (0.76) L3MBTL1MEN1KMT2ANPC1RAB9A
SCHEMBL11756426 0.86 MEN1 (0.80) L3MBTL1MEN1KMT2ANPC1RAB9A
SCHEMBL29431572 0.85 L3MBTL1 (0.74) L3MBTL1MEN1KMT2ANPC1RAB9A
SCHEMBL15480402 0.85 L3MBTL1 (0.74) L3MBTL1MEN1KMT2ANPC1RAB9A
SCHEMBL30555757 0.84 MEN1 (0.72) L3MBTL1MEN1KMT2ANPC1RAB9A
SCHEMBL9167675 0.84 MEN1 (0.72) L3MBTL1MEN1KMT2ANPC1RAB9A
SCHEMBL30020550 0.84 MEN1 (0.72) L3MBTL1MEN1KMT2ANPC1RAB9A

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