SCHEMBL6560138

SCHEMBL6560138

CC(=O)NC(C)c1ccc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 13/20 0.57
CASP6 P55212 1/20 0.54
TSHR P16473 2/20 0.54
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 1/20 0.50
PDK1 Q15118 1/20 0.50

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
SCHEMBL14735881 1.00 HCAR3 (0.57) HCAR3CASP6TSHRMEN1KMT2A
SCHEMBL6560146 1.00 HCAR3 (0.57) HCAR3CASP6TSHRMEN1KMT2A
SCHEMBL6560128 1.00 HCAR3 (0.57) HCAR3CASP6TSHRMEN1KMT2A
SCHEMBL1075935 0.86 VCAM1 (0.53) MEN1KMT2ALMNAPDK1
SCHEMBL1075938 0.86 VCAM1 (0.53) MEN1KMT2ALMNAPDK1
SCHEMBL29276459 0.84 HCAR3 (0.52) HCAR3CASP6TSHRMEN1KMT2A
SCHEMBL4521169 0.82 HCAR3 (0.50) HCAR3CASP6TSHRMEN1KMT2A
SCHEMBL7573511 0.82 PDK1 (0.70) HCAR3CASP6TSHRMEN1KMT2A
SCHEMBL7598666 0.81 MEN1 (0.50) HCAR3CASP6TSHRMEN1KMT2A
SCHEMBL23752094 0.81 CASP6 (0.62) HCAR3CASP6TSHRMEN1KMT2A

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