SCHEMBL6558086

SCHEMBL6558086

O=C(NCCc1ccc(C(=O)Nc2ccncc2)cc1[N+](=O)[O-])OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
MAPT P10636 7/20 0.52
KMT2A Q03164 6/20 0.52
MEN1 O00255 5/20 0.52
NPC1 O15118 4/20 0.52
RECQL P46063 2/20 0.52
ROCK2 O75116 1/20 0.50
SMN1; SMN2 Q16637 6/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP3A4 P08684 2/20 0.48
GAA P10253 2/20 0.48
HTT P42858 2/20 0.48
HPGD P15428 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
NAMPT P43490 1/20 0.48
RAB9A P51151 3/20 0.47

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
SCHEMBL6558125 0.86 POLB (0.55) POLBKMT2AMEN1NPC1ROCK2
SCHEMBL6557916 0.86 POLB (0.55) POLBNPC1ROCK2SMN1; SMN2NAMPT
SCHEMBL6559025 0.84 SMN1; SMN2 (0.50) MAPTKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL6557803 0.82 SMN1; SMN2 (0.51) MAPTKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL6560027 0.82 POLB (0.63) POLBKMT2AMEN1NPC1ROCK2
SCHEMBL6558080 0.80 POLB (0.52) POLBMAPTKMT2AMEN1NPC1
SCHEMBL6558090 0.80 POLB (0.52) POLBMAPTKMT2AMEN1NPC1
SCHEMBL19621590 0.79 SMN1; SMN2 (0.50) MAPTKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL3416255 0.77 POLB (0.62) POLBMAPTKMT2AMEN1NPC1
SCHEMBL996878 0.76 NAMPT (0.78) POLBROCK2SMN1; SMN2CYP3A4NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1391454-A1 Substituted benzamide compounds with antihypertensive activity Mitsubishi Pharma Corporation (JP) 2004-02-25 EP disclosed
EP-1195372-A1 N-heterocyclic substituted benzamide derivatives with antihypertensive activity Mitsubishi Pharma Corporation (JP) 2002-04-10 EP disclosed
US-6156766-A Benzamide compounds and pharmaceutical use thereof YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2000-12-05 US disclosed
US-5958944-A TREATMENT OF CIRCULATORY DISEASES IN CORONARY, CEREBRAL, RENAL AND PERIPHERAL ARTERIES, AS A THERAPEUTIC AGENT FOR HYPERTENSION, ANGINA PECTORIS, AND RENAL AND PERIPHERAL CIRCULATION DISORDER, ANTIASTHMATIC AGENT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-09-28 US disclosed
EP-0757038-A1 BENZAMIDE COMPOUND AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-02-05 EP disclosed