SCHEMBL6560029

SCHEMBL6560029

CC(NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccncc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.60
ROCK2 O75116 3/20 0.53
ROCK1 Q13464 3/20 0.53
ATM Q13315 1/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 1/20 0.52
NAMPT P43490 1/20 0.52
JAK2 O60674 1/20 0.51
TYK2 P29597 1/20 0.51
RPS6KA5 O75582 1/20 0.51
MAP4K4 O95819 1/20 0.51
CDK1 P06493 1/20 0.51
CSF1R P07333 1/20 0.51
PRKACA P17612 1/20 0.51
FLT1 P17948 1/20 0.51
RPS6KB1 P23443 1/20 0.51
CDK2 P24941 1/20 0.51
MAPK1 P28482 1/20 0.51
AKT1 P31749 1/20 0.51
FLT4 P35916 1/20 0.51

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
SCHEMBL6560020 1.00 POLB (0.60) POLBROCK2ROCK1ATMKMT2A
SCHEMBL6558160 0.85 POLB (0.58) POLBROCK2ROCK1NAMPTJAK2
SCHEMBL6558128 0.84 POLB (0.54) POLBROCK2ATMKMT2AALDH1A1
SCHEMBL6558121 0.84 POLB (0.54) POLBROCK2ATMKMT2AALDH1A1
SCHEMBL6557920 0.84 POLB (0.54) POLBROCK2ATMNAMPTJAK2
SCHEMBL6557910 0.84 POLB (0.54) POLBROCK2ATMNAMPTJAK2
SCHEMBL1667981 0.84 ATM (0.60) POLBROCK2ROCK1ATMKMT2A
SCHEMBL2851564 0.81 ATM (0.60) ATMKMT2AALDH1A1CYP3A4MAPT
SCHEMBL2851560 0.81 ATM (0.60) ATMKMT2AALDH1A1CYP3A4MAPT
SCHEMBL4444864 0.81 ATM (0.60) ATMKMT2AALDH1A1CYP3A4MAPT

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 6 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-0757038-B1 BENZAMIDE COMPOUND AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2003-11-26 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