SCHEMBL6557935

SCHEMBL6557935

NC(CF)c1ccc(C(=O)Nc2ccncc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.68
ROCK1 Q13464 2/20 0.68
KDM4E B2RXH2 2/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
KMT2A Q03164 3/20 0.55
NT5E P21589 1/20 0.55
GAA P10253 1/20 0.54
JAK2 O60674 1/20 0.54
TYK2 P29597 1/20 0.54
POLB P06746 2/20 0.54
MAPT P10636 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.52
STAT3 P40763 2/20 0.52
LMNA P02545 2/20 0.51
HTT P42858 1/20 0.50
MEN1 O00255 2/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
PKM P14618 1/20 0.48
NAMPT P43490 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
SCHEMBL2795043 0.87 ROCK2 (0.69) ROCK2ROCK1KDM4EL3MBTL1KMT2A
SCHEMBL2793935 0.87 ROCK2 (0.69) ROCK2ROCK1KDM4EL3MBTL1KMT2A
SCHEMBL2790408 0.87 ROCK2 (0.69) ROCK2ROCK1KDM4EL3MBTL1KMT2A
SCHEMBL3687151 0.86 ROCK2 (0.72) ROCK2ROCK1KDM4EL3MBTL1KMT2A
Hydrochloric Acid SCHEMBL2794136 0.86 ROCK2 (0.70) ROCK2ROCK1KDM4EL3MBTL1KMT2A
Hydrochloric Acid SCHEMBL2789873 0.86 ROCK2 (0.70) ROCK2ROCK1KDM4EL3MBTL1KMT2A
SCHEMBL2792304 0.84 ROCK2 (0.66) ROCK2ROCK1KDM4EL3MBTL1KMT2A
Hydrochloric Acid SCHEMBL5466118 0.84 ROCK2 (0.72) ROCK2ROCK1KDM4EL3MBTL1KMT2A
SCHEMBL2794980 0.83 ROCK2 (0.68) ROCK2ROCK1KDM4EL3MBTL1KMT2A
SCHEMBL5451870 0.83 ROCK2 (0.68) 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 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