SCHEMBL6558145

SCHEMBL6558145

O=C(NCc1ccc(C(=O)Cl)cc1)OCc1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.62
HDAC2 Q92769 3/20 0.62
HDAC3 O15379 2/20 0.62
PLAU P00749 1/20 0.61
NAMPT P43490 1/20 0.58
TNKS O95271 2/20 0.55
TNKS2 Q9H2K2 2/20 0.55
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TPSAB1 Q15661 2/20 0.52
TPSD1 Q9BZJ3 2/20 0.52
TPSG1 Q9NRR2 2/20 0.52
ALDH1A1 P00352 1/20 0.51
HTT P42858 1/20 0.51
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49

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
SCHEMBL991841 0.88 HDAC1 (0.64) HDAC1HDAC2HDAC3PLAUNAMPT
Benzyl Benzylcarbamate SCHEMBL1136818 0.87 PLAU (0.70) HDAC1HDAC2HDAC3PLAUNAMPT
Benzyl Benzylcarbamate SCHEMBL19810513 0.86 PLAU (0.68) HDAC1HDAC2HDAC3PLAUNAMPT
Benzyl Benzylcarbamate SCHEMBL9998166 0.86 PLAU (0.68) HDAC1HDAC2HDAC3PLAUNAMPT
Benzyl Benzylcarbamate SCHEMBL28413454 0.86 PLAU (0.68) HDAC1HDAC2HDAC3PLAUNAMPT
SCHEMBL6558232 0.86 SMN1; SMN2 (0.58) HDAC1HDAC2HDAC3LMNASMN1; SMN2
SCHEMBL5931079 0.85 PLAU (0.69) HDAC1HDAC2HDAC3PLAUNAMPT
SCHEMBL993696 0.85 HDAC1 (0.62) HDAC1HDAC2HDAC3PLAUNAMPT
SCHEMBL28071194 0.85 PLAU (0.64) HDAC1HDAC2HDAC3PLAUNAMPT
SCHEMBL191161 0.84 PLAU (0.68) HDAC1HDAC2HDAC3PLAUNAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014087165-A1 TANKYRASE INHIBITORS UNIVERSITY OF BATH (GB) 2014-06-12 WO disclosed
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