SCHEMBL6559244

SCHEMBL6559244

N=C(NCc1ccccc1)NCc1ccc(C(=O)Nc2ccnc3[nH]ncc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 8/20 0.48
NAMPT P43490 3/20 0.46
HDAC1 Q13547 11/20 0.46
KMT2A Q03164 1/20 0.44
HDAC6 Q9UBN7 6/20 0.43
HDAC3 O15379 6/20 0.43
HDAC4 P56524 5/20 0.43
HDAC7 Q8WUI4 5/20 0.43
HDAC10 Q969S8 5/20 0.43
HDAC11 Q96DB2 5/20 0.43
HDAC8 Q9BY41 5/20 0.43
HDAC9 Q9UKV0 5/20 0.43
HDAC5 Q9UQL6 5/20 0.43
AURKA O14965 1/20 0.43
KCNH2 Q12809 1/20 0.43
KDM1A O60341 1/20 0.43
CYP3A4 P08684 1/20 0.43
F3 P13726 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
NCOR1 O75376 1/20 0.42

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
SCHEMBL6557799 0.94 HDAC2 (0.44) HDAC2NAMPTHDAC1KMT2AHDAC6
SCHEMBL6557940 0.93 NAMPT (0.48) HDAC2NAMPTHDAC1KMT2AHDAC6
SCHEMBL6558031 0.91 HDAC2 (0.43) HDAC2NAMPTHDAC1KMT2AHDAC6
SCHEMBL6560258 0.89 HDAC1 (0.42) HDAC2NAMPTHDAC1KMT2AHDAC6
SCHEMBL1553844 0.87 HDAC2 (0.47) HDAC2NAMPTHDAC1HDAC6HDAC3
SCHEMBL6559076 0.87 TRPV1 (0.43) HDAC2NAMPTHDAC1HDAC6HDAC3
SCHEMBL6557869 0.86 NAMPT (0.62) HDAC2NAMPTHDAC1HDAC6HDAC3
Hydrochloric Acid SCHEMBL6560004 0.85 HDAC2 (0.46) HDAC2NAMPTHDAC1HDAC6HDAC3
SCHEMBL6560249 0.84 HDAC2 (0.43) HDAC2NAMPTHDAC1KMT2AHDAC6
SCHEMBL6558139 0.84 ROCK2 (0.54) HDAC2NAMPTHDAC1KMT2AHDAC6

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