SCHEMBL6560211

SCHEMBL6560211

COc1cc(C(=O)Nc2ccncc2)ccc1C(C)N

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.70
MEN1 O00255 4/20 0.70
ALDH1A1 P00352 2/20 0.70
PKM P14618 1/20 0.70
ROCK2 O75116 3/20 0.61
ROCK1 Q13464 2/20 0.60
POLB P06746 1/20 0.57
GAA P10253 1/20 0.52
KDM4E B2RXH2 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 4/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
MAPK1 P28482 1/20 0.49
KCNMA1 Q12791 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
SCHEMBL2470984 0.88 GAA (0.66) KMT2AMEN1ALDH1A1PKMROCK2
SCHEMBL2470980 0.88 GAA (0.66) KMT2AMEN1ALDH1A1PKMROCK2
SCHEMBL4529418 0.85 ROCK2 (0.66) KMT2AMEN1ALDH1A1PKMROCK2
SCHEMBL4513040 0.85 ROCK2 (0.62) KMT2AMEN1ALDH1A1PKMROCK2
SCHEMBL4521944 0.85 ROCK2 (0.56) KMT2AMEN1ALDH1A1PKMROCK2
SCHEMBL1553388 0.84 ROCK2 (0.67) KMT2AMEN1ALDH1A1PKMROCK2
SCHEMBL1553390 0.84 ROCK2 (0.67) KMT2AMEN1ALDH1A1PKMROCK2
Hydrochloric Acid SCHEMBL4525095 0.84 ROCK2 (0.61) KMT2AMEN1ALDH1A1PKMROCK2
SCHEMBL4525562 0.84 ROCK2 (0.58) KMT2AMEN1ALDH1A1PKMROCK2
Hydrochloric Acid SCHEMBL4508678 0.84 ROCK2 (0.55) KMT2AMEN1ALDH1A1PKMROCK2

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