SCHEMBL6558080

SCHEMBL6558080

C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccncc2)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
MAPT P10636 8/20 0.52
MEN1 O00255 7/20 0.50
KMT2A Q03164 7/20 0.50
SMN1; SMN2 Q16637 5/20 0.49
HTT P42858 3/20 0.49
CYP3A4 P08684 2/20 0.49
GAA P10253 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ALDH1A1 P00352 4/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
RECQL P46063 2/20 0.46
LMNA P02545 2/20 0.46
NPC1 O15118 3/20 0.46

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
SCHEMBL6558090 1.00 POLB (0.52) POLBMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6557920 0.85 POLB (0.54) POLBSMN1; SMN2HTTCYP3A4LMNA
SCHEMBL6558121 0.85 POLB (0.54) POLBMEN1KMT2ASMN1; SMN2HTT
SCHEMBL6558128 0.85 POLB (0.54) POLBMEN1KMT2ASMN1; SMN2HTT
SCHEMBL6557910 0.85 POLB (0.54) POLBSMN1; SMN2HTTCYP3A4LMNA
SCHEMBL6559027 0.85 ATM (0.49) MAPTMEN1KMT2AALDH1A1ATM
SCHEMBL6559021 0.85 ATM (0.49) MAPTMEN1KMT2AALDH1A1ATM
SCHEMBL4763126 0.84 POLB (0.60) POLBMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6557796 0.83 ATM (0.47) MAPTHTTALDH1A1LMNAATM
SCHEMBL6557807 0.83 ATM (0.47) MAPTHTTALDH1A1LMNAATM

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