SCHEMBL6965101

SCHEMBL6965101

O=C(O)C=Cc1ccc(NC(=O)c2ccncc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.67
HTT P42858 1/20 0.61
MAPK1 P28482 3/20 0.58
KDM4E B2RXH2 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
JAK2 O60674 1/20 0.57
TYK2 P29597 1/20 0.57
SNCA P37840 1/20 0.54
PKM P14618 1/20 0.54
CA12 O43570 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
ITGB3 P05106 1/20 0.53
ITGB1 P05556 1/20 0.53
ITGAV P06756 1/20 0.53
ITGA2B P08514 1/20 0.53
ITGB5 P18084 1/20 0.53
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
AGTR1 P30556 1/20 0.52

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
SCHEMBL6965107 1.00 GAA (0.67) GAAHTTMAPK1KDM4EL3MBTL1
SCHEMBL6969345 0.94 KDM4E (0.67) GAAHTTMAPK1KDM4EL3MBTL1
SCHEMBL7005530 0.94 KDM4E (0.67) GAAHTTMAPK1KDM4EL3MBTL1
SCHEMBL1233005 0.86 PKM (0.70) MAPK1KDM4EL3MBTL1PKMCA12
SCHEMBL1233002 0.86 PKM (0.70) MAPK1KDM4EL3MBTL1PKMCA12
SCHEMBL12425742 0.83 PKM (0.70) KDM4EL3MBTL1PKMCA12CA2
SCHEMBL7948225 0.82 MITF (0.64) SNCAPKMKMT2AMEN1RAB9A
SCHEMBL19242053 0.82 GAA (1.00) GAAHTTMAPK1KDM4EL3MBTL1
SCHEMBL6968109 0.81 GAA (0.76) GAAHTTMAPK1KDM4EL3MBTL1
SCHEMBL5583040 0.81 PTPN1 (0.64) KDM4EL3MBTL1PKMCA12CA2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0879233-B1 CHINOLINE AND BENZIMIDAZOLE DERIVATIVES AS BRADYKININ AGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2003-08-13 EP disclosed
US-6127389-A TREATMENT OF HYPERTENSION, RENAL DISEASES, HEART FAILURE, HYPERTENSION, MENIERE'S DISEASE, PERIPHERAL AND CEREBRAL CIRCULATORY DISORDERS, CLIMACTERIC DISTURBANCE, RETINOCHOROIDAL CIRCULATORY DISORDERS, MYOCARDIAL ISCHEMIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-10-03 US disclosed
US-6015818-A TREATING KIDNEY, BRAIN, AND CARDIOVASCULAR DISORDERS; HYPOTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-01-18 US disclosed
EP-0596406-B1 Imidazo (1,2-a) Pyridines as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 1998-12-16 EP disclosed
US-5750699-A HALOGENATING OF CORRESPONDING COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-05-12 US disclosed
US-5574042-A ANTAGONIST FOR BRADYKININS AS ANTIALLERGENS, AUTOIMMUNE DISEASES, ANTIINFLAMMATORY AGENTS, SHOCK OR PAIN FUJISAWA PHARMACEUTICAL CO., LTD (JP) 1996-11-12 US disclosed
EP-0596406-A1 Imidazo (1,2-a) Pyridines as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-05-11 EP disclosed