SCHEMBL6558050

SCHEMBL6558050

Cc1cc(C(=O)Nc2ccncc2)ccc1C(C)N

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.65
ROCK1 Q13464 2/20 0.64
KDM4E B2RXH2 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
NT5E P21589 2/20 0.55
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 2/20 0.52
PKM P14618 1/20 0.52
LMNA P02545 3/20 0.52
MAPK1 P28482 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
POLB P06746 2/20 0.50
TYK2 P29597 1/20 0.50
HTT P42858 1/20 0.48
MAPT P10636 2/20 0.48
TP53 P04637 1/20 0.48
CASP3 P42574 1/20 0.48
SENP7 Q9BQF6 1/20 0.48

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
SCHEMBL1553390 0.88 ROCK2 (0.67) ROCK2ROCK1KDM4EL3MBTL1NT5E
SCHEMBL1553388 0.88 ROCK2 (0.67) ROCK2ROCK1KDM4EL3MBTL1NT5E
Hydrochloric Acid SCHEMBL4506551 0.86 ROCK2 (0.67) ROCK2ROCK1KDM4EL3MBTL1NT5E
SCHEMBL1553722 0.86 ROCK2 (0.65) ROCK2ROCK1KDM4EL3MBTL1NT5E
SCHEMBL1553725 0.86 ROCK2 (0.65) ROCK2ROCK1KDM4EL3MBTL1NT5E
SCHEMBL4517786 0.85 ROCK2 (0.64) ROCK2ROCK1KDM4EL3MBTL1NT5E
SCHEMBL1554720 0.85 ROCK2 (0.71) ROCK2ROCK1KDM4EL3MBTL1NT5E
SCHEMBL6557854 0.85 ROCK2 (0.64) ROCK2ROCK1KDM4EL3MBTL1NT5E
Hydrochloric Acid SCHEMBL6557973 0.85 ROCK2 (0.65) ROCK2ROCK1KDM4EL3MBTL1NT5E
SCHEMBL1554718 0.85 ROCK2 (0.71) ROCK2ROCK1KDM4EL3MBTL1NT5E

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