SCHEMBL6560249

SCHEMBL6560249

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 4/20 0.43
HDAC1 Q13547 6/20 0.41
DHPS P49366 1/20 0.40
NAMPT P43490 4/20 0.39
HDAC3 O15379 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL1553844 0.86 HDAC2 (0.47) HDAC2HDAC1NAMPTHDAC3HDAC6
SCHEMBL6558031 0.86 HDAC2 (0.43) HDAC2HDAC1DHPSNAMPTHDAC3
Hydrochloric Acid SCHEMBL6560004 0.84 HDAC2 (0.46) HDAC2HDAC1NAMPTHDAC3HDAC6
SCHEMBL6559244 0.84 HDAC2 (0.48) HDAC2HDAC1NAMPTHDAC3HDAC6
SCHEMBL6558037 0.84 ROCK2 (0.56) HDAC2HDAC1NAMPTHDAC6ROCK2
SCHEMBL6560258 0.84 HDAC1 (0.42) HDAC2HDAC1DHPSNAMPTHDAC3
SCHEMBL6559076 0.82 TRPV1 (0.43) HDAC2HDAC1DHPSNAMPTHDAC3
SCHEMBL6557940 0.82 NAMPT (0.48) HDAC2HDAC1NAMPTHDAC3HDAC6
SCHEMBL6558259 0.81 HDAC1 (0.40) HDAC2HDAC1DHPSNAMPTHDAC3
SCHEMBL6558249 0.81 HDAC1 (0.40) HDAC2HDAC1DHPSNAMPTHDAC3

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