SCHEMBL7825604

SCHEMBL7825604

O=C(O)c1ccccc1C(=O)Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 2/20 0.73
MEN1 O00255 6/20 0.59
KMT2A Q03164 6/20 0.59
PHGDH O43175 1/20 0.58
ALDH1A1 P00352 4/20 0.57
MAPT P10636 3/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
GAA P10253 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
DDX3X O00571 1/20 0.57
KDM4E B2RXH2 1/20 0.57
HTT P42858 1/20 0.56
ATM Q13315 1/20 0.56
GFER P55789 1/20 0.56
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54

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
SCHEMBL394289 0.89 KCNMA1 (0.79) KCNMA1MEN1KMT2APHGDHALDH1A1
SCHEMBL7722700 0.88 ALDH1A1 (0.68) KCNMA1MEN1KMT2AALDH1A1MAPT
SCHEMBL7717663 0.86 ALDH1A1 (0.66) KCNMA1MEN1KMT2AALDH1A1MAPT
SCHEMBL7759260 0.84 KCNMA1 (1.00) KCNMA1MEN1KMT2APHGDHALDH1A1
SCHEMBL11492887 0.83 KCNMA1 (0.71) KCNMA1MEN1KMT2APHGDHALDH1A1
SCHEMBL5181163 0.83 KMT2A (0.76) KCNMA1MEN1KMT2APHGDHALDH1A1
SCHEMBL7159815 0.82 CRHBP (0.68) KCNMA1MEN1KMT2AALDH1A1MAPT
SCHEMBL641989 0.82 PHGDH (0.77) KCNMA1MEN1KMT2APHGDHALDH1A1
SCHEMBL10521271 0.82 KCNMA1 (0.69) KCNMA1MEN1KMT2APHGDHALDH1A1
SCHEMBL25054248 0.81 KMT2A (0.69) KCNMA1MEN1KMT2AGAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150328329-A1 LIGANDS THAT TARGET HCV-E2 BINDING SITES ON CD81 AND THERAPEUTIC METHODS USING THEM American University of Cairo (EG) 2015-11-19 US disclosed
WO-2014081856-A2 LIGANDS THAT TARGET HCV-E2 BINDING SITES ON CD81 AND THERAPEUTIC METHODS USING THEM AZZAZY HASSAN (EG) 2014-05-30 WO disclosed
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