SCHEMBL6559027

SCHEMBL6559027

CC(NC(=O)OCc1ccccc1)c1ccc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.49
MYC P01106 1/20 0.47
MAX P61244 1/20 0.47
HCAR3 P49019 8/20 0.46
CTSL P07711 5/20 0.46
CTSB P07858 5/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GSTP1 P09211 1/20 0.44
GSTM2 P28161 1/20 0.44

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
SCHEMBL6559021 1.00 ATM (0.49) ATMMYCMAXHCAR3CTSL
SCHEMBL6557796 0.92 ATM (0.47) ATMCTSLCTSBMAPTALDH1A1
SCHEMBL6557807 0.92 ATM (0.47) ATMCTSLCTSBMAPTALDH1A1
SCHEMBL6558080 0.85 POLB (0.52) ATMMYCMAXMAPTALDH1A1
SCHEMBL6558090 0.85 POLB (0.52) ATMMYCMAXMAPTALDH1A1
SCHEMBL7598666 0.83 MEN1 (0.50) HCAR3MAPTALDH1A1KDM4EMEN1
SCHEMBL6560303 0.82 ATM (0.53) ATMCTSLCTSBALDH1A1KDM4E
SCHEMBL6559971 0.82 ATM (0.53) ATMCTSLCTSBMAPTALDH1A1
SCHEMBL6559979 0.82 ATM (0.53) ATMCTSLCTSBMAPTALDH1A1
SCHEMBL6560298 0.82 ATM (0.53) ATMCTSLCTSBALDH1A1KDM4E

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