SCHEMBL6558299

SCHEMBL6558299

CC(C)(CN)c1ccc(C(=O)Nc2ccncc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
ROCK2 O75116 2/20 0.57
ROCK1 Q13464 2/20 0.57
NT5E P21589 1/20 0.56
KMT2A Q03164 1/20 0.56
LMNA P02545 3/20 0.56
GAA P10253 2/20 0.56
JAK2 O60674 1/20 0.55
TYK2 P29597 1/20 0.55
POLB P06746 2/20 0.55
MAPT P10636 1/20 0.55
STAT3 P40763 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HTT P42858 1/20 0.51
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
MAPK1 P28482 1/20 0.50
NAMPT P43490 1/20 0.50
TRPV1 Q8NER1 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
SCHEMBL1554238 0.83 KDM4E (0.71) KDM4EL3MBTL1ROCK2ROCK1NT5E
SCHEMBL12042503 0.83 KDM4E (0.76) KDM4EL3MBTL1NT5EKMT2AGAA
Hydrochloric Acid SCHEMBL6558156 0.82 KDM4E (0.69) KDM4EL3MBTL1ROCK2ROCK1NT5E
SCHEMBL5753757 0.82 KDM4E (0.59) KDM4EL3MBTL1ROCK2ROCK1NT5E
SCHEMBL14716526 0.80 KDM4E (1.00) KDM4EL3MBTL1ROCK2ROCK1NT5E
SCHEMBL22064300 0.80 KDM4E (0.71) KDM4EL3MBTL1ROCK2ROCK1NT5E
SCHEMBL7295293 0.80 RAB9A (0.69) KDM4EL3MBTL1KMT2ALMNAGAA
SCHEMBL7293363 0.80 RAB9A (0.69) KDM4EL3MBTL1KMT2ALMNAGAA
SCHEMBL5751736 0.80 KDM4E (0.56) KDM4EL3MBTL1ROCK2ROCK1NT5E
SCHEMBL1687872 0.78 TRPV1 (0.73) KDM4EL3MBTL1KMT2AGAASMN1; SMN2

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