SCHEMBL6558035

SCHEMBL6558035

C[C@@H](NC(=N)N)c1ccc(C(=O)Nc2ccncc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.67
ROCK1 Q13464 3/20 0.67
KDM4E B2RXH2 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
KMT2A Q03164 3/20 0.51
NT5E P21589 1/20 0.51
F2 P00734 2/20 0.51
F7 P08709 2/20 0.51
F10 P00742 1/20 0.51
POLB P06746 2/20 0.50
MAPK1 P28482 2/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
RPS6KA5 O75582 1/20 0.50
MAP4K4 O95819 1/20 0.50
CDK1 P06493 1/20 0.50
CSF1R P07333 1/20 0.50
PRKACA P17612 1/20 0.50
FLT1 P17948 1/20 0.50
RPS6KB1 P23443 1/20 0.50

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
SCHEMBL6558041 1.00 ROCK2 (0.67) ROCK2ROCK1KDM4EL3MBTL1KMT2A
SCHEMBL6845267 0.82 ROCK2 (0.71) ROCK2ROCK1KDM4EL3MBTL1KMT2A
SCHEMBL1554113 0.80 ROCK2 (1.00) ROCK2ROCK1KDM4EL3MBTL1KMT2A
SCHEMBL1553353 0.80 ROCK2 (1.00) ROCK2ROCK1KDM4EL3MBTL1KMT2A
SCHEMBL1553349 0.80 ROCK2 (1.00) ROCK2ROCK1KDM4EL3MBTL1KMT2A
SCHEMBL30192651 0.80 ROCK2 (0.77) ROCK2ROCK1KDM4EL3MBTL1KMT2A
SCHEMBL2793413 0.79 ROCK2 (0.63) ROCK2ROCK1KDM4EL3MBTL1KMT2A
SCHEMBL3502467 0.79 ROCK2 (0.63) ROCK2ROCK1KDM4EL3MBTL1KMT2A
Hydrochloric Acid SCHEMBL1770831 0.79 ROCK2 (1.00) ROCK2ROCK1KDM4EL3MBTL1KMT2A
Hydrochloric Acid SCHEMBL1770829 0.79 ROCK2 (1.00) ROCK2ROCK1KDM4EL3MBTL1KMT2A

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 9 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 claimed
EP-1195372-A1 N-heterocyclic substituted benzamide derivatives with antihypertensive activity Mitsubishi Pharma Corporation (JP) 2002-04-10 EP claimed
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 claimed
EP-0757038-A1 BENZAMIDE COMPOUND AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-02-05 EP claimed
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