SCHEMBL6560180

SCHEMBL6560180

CC(N)c1ccc(C(=O)Nc2ccncc2)c(F)c1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.63
ROCK1 Q13464 2/20 0.63
HTT P42858 2/20 0.56
TYK2 P29597 6/20 0.48
JAK2 O60674 5/20 0.48
JAK1 P23458 3/20 0.47
NOD2 Q9HC29 1/20 0.47
KCNMA1 Q12791 1/20 0.45
CYP11B2 P19099 1/20 0.44
PRKCI P41743 1/20 0.44

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
SCHEMBL6560266 0.85 ROCK2 (0.68) ROCK2ROCK1HTTTYK2JAK2
SCHEMBL6557858 0.85 ROCK2 (0.64) ROCK2ROCK1HTTTYK2JAK2
SCHEMBL6558257 0.84 ROCK2 (0.63) ROCK2ROCK1HTTTYK2JAK2
SCHEMBL1552932 0.84 TYK2 (0.65) ROCK2ROCK1TYK2JAK2JAK1
SCHEMBL1552933 0.84 TYK2 (0.65) ROCK2ROCK1TYK2JAK2JAK1
Bromide SCHEMBL6560231 0.82 TYK2 (0.62) ROCK2ROCK1TYK2JAK2JAK1
Bromide SCHEMBL6560233 0.82 TYK2 (0.62) ROCK2ROCK1TYK2JAK2JAK1
SCHEMBL2464260 0.80 SMN1; SMN2 (0.60) ROCK2ROCK1HTTTYK2JAK2
SCHEMBL2464262 0.80 SMN1; SMN2 (0.60) ROCK2ROCK1HTTTYK2JAK2
SCHEMBL12121068 0.79 HTT (0.63) HTTTYK2JAK2JAK1NOD2

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