SCHEMBL6560027

SCHEMBL6560027

O=C(NCCc1ccc(C(=O)Nc2ccncc2)cc1)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.63
NAMPT P43490 3/20 0.62
RAB9A P51151 2/20 0.57
SCD O00767 1/20 0.55
JAK2 O60674 1/20 0.53
TYK2 P29597 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
STAT3 P40763 1/20 0.52
HDAC1 Q13547 2/20 0.51
HDAC2 Q92769 2/20 0.51
ROCK2 O75116 1/20 0.51
ROCK1 Q13464 1/20 0.51
HDAC3 O15379 1/20 0.51
HTT P42858 1/20 0.50
KDM4E B2RXH2 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
DNMT1 P26358 1/20 0.50
DNMT3A Q9Y6K1 1/20 0.50
KDM1A O60341 1/20 0.49
RCOR1 Q9UKL0 1/20 0.49

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
SCHEMBL996878 0.88 NAMPT (0.78) POLBNAMPTSCDJAK2TYK2
SCHEMBL2790938 0.85 POLB (0.64) POLBNAMPTRAB9ASCDJAK2
SCHEMBL6557916 0.84 POLB (0.55) POLBNAMPTRAB9ASCDJAK2
SCHEMBL6558125 0.84 POLB (0.55) POLBNAMPTRAB9ASCDSMN1; SMN2
SCHEMBL6558086 0.82 POLB (0.52) POLBNAMPTRAB9ASMN1; SMN2ROCK2
SCHEMBL2793871 0.81 POLB (0.59) POLBNAMPTSCDJAK2TYK2
SCHEMBL2793874 0.81 POLB (0.59) POLBNAMPTSCDJAK2TYK2
SCHEMBL6558160 0.81 POLB (0.58) POLBNAMPTSCDJAK2TYK2
SCHEMBL2818520 0.81 POLB (0.58) POLBNAMPTSCDJAK2TYK2
SCHEMBL2851561 0.80 LMNA (0.61) SMN1; SMN2HDAC1HDAC2HDAC3HTT

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