SCHEMBL6560258

SCHEMBL6560258

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.42
HDAC2 Q92769 10/20 0.42
HDAC3 O15379 9/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
NAMPT P43490 4/20 0.41
TRPV1 Q8NER1 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL6559076 0.94 TRPV1 (0.43) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL6558031 0.92 HDAC2 (0.43) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL6559244 0.89 HDAC2 (0.48) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL6557799 0.88 HDAC2 (0.44) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL6559053 0.85 ROCK2 (0.54) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL1553844 0.85 HDAC2 (0.47) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL6557940 0.84 NAMPT (0.48) HDAC1HDAC2HDAC3HDAC6NAMPT
SCHEMBL6560249 0.84 HDAC2 (0.43) HDAC1HDAC2HDAC3HDAC4HDAC7
Hydrochloric Acid SCHEMBL6560004 0.83 HDAC2 (0.46) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL6559145 0.80 HDAC1 (0.39) HDAC1HDAC2HDAC3HDAC4HDAC7

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