SCHEMBL6557940

SCHEMBL6557940

N=C(NCc1ccc(C(=O)Nc2ccnc3[nH]ncc23)cc1)Nc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 8/20 0.48
HDAC2 Q92769 2/20 0.46
AURKA O14965 2/20 0.46
HDAC1 Q13547 5/20 0.44
NPC1 O15118 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC3 O15379 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
MAPK13 O15264 1/20 0.41
CHEK2 O96017 1/20 0.41
NTRK1 P04629 1/20 0.41
RET P07949 1/20 0.41
HCK P08631 1/20 0.41
FGFR1 P11362 1/20 0.41

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
SCHEMBL6559244 0.93 HDAC2 (0.48) NAMPTHDAC2AURKAHDAC1KMT2A
SCHEMBL6557799 0.88 HDAC2 (0.44) NAMPTHDAC2AURKAHDAC1NPC1
SCHEMBL6558031 0.86 HDAC2 (0.43) NAMPTHDAC2HDAC1NPC1HPGD
SCHEMBL6557774 0.85 ROCK2 (0.52) NAMPTHDAC2AURKAHDAC1NPC1
SCHEMBL1553844 0.85 HDAC2 (0.47) NAMPTHDAC2HDAC1NPC1HPGD
SCHEMBL6560258 0.84 HDAC1 (0.42) NAMPTHDAC2HDAC1MAPTHPGD
Hydrochloric Acid SCHEMBL6560004 0.83 HDAC2 (0.46) NAMPTHDAC2HDAC1NPC1HPGD
SCHEMBL6559076 0.83 TRPV1 (0.43) NAMPTHDAC2HDAC1SMN1; SMN2HDAC3
SCHEMBL6560249 0.82 HDAC2 (0.43) NAMPTHDAC2HDAC1NPC1HPGD
SCHEMBL6557869 0.82 NAMPT (0.62) NAMPTHDAC2HDAC1HDAC3HDAC6

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