SCHEMBL6559915

SCHEMBL6559915

N=C(N)NCc1ccc(C(=O)Nc2ccnc3[nH]ncc23)c([N+](=O)[O-])c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 4/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP1A2 P05177 2/20 0.39
ALDH1A1 P00352 5/20 0.36
POLB P06746 3/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
THRB P10828 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
MCL1 Q07820 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CGAS Q8N884 1/20 0.35
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34

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
SCHEMBL1554284 0.82 ALDH1A1 (0.40) HTTSMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL6558051 0.81 MAPT (0.39) HPGDCYP3A4CYP2C19ALDH1A1POLB
SCHEMBL6558043 0.81 MAPT (0.39) HPGDCYP3A4CYP2C19ALDH1A1POLB
SCHEMBL1553844 0.81 HDAC2 (0.47) HTTHPGDCYP3A4CYP2C19CYP1A2
Bromide SCHEMBL6558166 0.81 ALDH1A1 (0.39) HTTSMN1; SMN2ALDH1A1POLBMAPT
Hydrochloric Acid SCHEMBL6560004 0.79 HDAC2 (0.46) HTTHPGDCYP3A4CYP2C19CYP1A2
SCHEMBL1553452 0.78 ROCK2 (0.45) HPGDCYP3A4CYP2C19ALDH1A1POLB
SCHEMBL1553451 0.78 ROCK2 (0.45) HPGDCYP3A4CYP2C19ALDH1A1POLB
Bromide SCHEMBL6560240 0.76 ROCK2 (0.44) HPGDCYP3A4CYP2C19ALDH1A1POLB
Bromide SCHEMBL6560248 0.76 ROCK2 (0.44) HPGDCYP3A4CYP2C19ALDH1A1POLB

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