SCHEMBL7821791

SCHEMBL7821791

O=C(O)c1sccc1Oc1ccccc1[N+](=O)[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 1.00
L3MBTL1 Q9Y468 5/20 0.53
HPGD P15428 1/20 0.51
ALDH1A1 P00352 7/20 0.50
KMT2A Q03164 3/20 0.48
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
NPC1 O15118 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
HTT P42858 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
SCHEMBL7825233 0.78 ESR2 (0.64) ESR2L3MBTL1HPGDKMT2AMAPT
SCHEMBL39472 0.78 HPGD (0.78) ESR2L3MBTL1HPGDALDH1A1KMT2A
SCHEMBL9263396 0.77 ESR2 (0.62) ESR2L3MBTL1HPGDALDH1A1KMT2A
SCHEMBL28056476 0.76 L3MBTL1 (0.81) ESR2L3MBTL1HPGDALDH1A1KMT2A
SCHEMBL2463968 0.75 ESR2 (0.59) ESR2ALDH1A1MAPTTDP1HTT
SCHEMBL1847303 0.74 ESR2 (0.58) ESR2L3MBTL1HPGDALDH1A1KMT2A
SCHEMBL9576479 0.72 L3MBTL1 (0.60) ESR2L3MBTL1HPGDALDH1A1KMT2A
SCHEMBL7508551 0.72 ESR2 (0.56) ESR2L3MBTL1ALDH1A1KMT2AMAPK1
SCHEMBL8456613 0.72 HPSE (0.58) ESR2L3MBTL1HPGDALDH1A1KMT2A
SCHEMBL9127093 0.72 L3MBTL1 (0.64) ESR2L3MBTL1HPGDALDH1A1KMT2A

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