SCHEMBL8566955

SCHEMBL8566955

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.59
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA9 Q16790 2/20 0.56
GAA P10253 2/20 0.55
CA2 P00918 1/20 0.55
CA7 P43166 1/20 0.55
CA14 Q9ULX7 1/20 0.55
LMNA P02545 2/20 0.52
RAB9A P51151 2/20 0.51
MEN1 O00255 1/20 0.51
AGTR1 P30556 1/20 0.51
KDM4E B2RXH2 3/20 0.50
MAPT P10636 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPK1 P28482 2/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.49
TTR P02766 1/20 0.48
DPP4 P27487 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
SCHEMBL8566952 1.00 KMT2A (0.59) KMT2ACA12CA1CA9GAA
SCHEMBL7742893 0.83 RAB9A (0.53) KMT2ACA12CA1CA9GAA
SCHEMBL7742889 0.83 RAB9A (0.53) KMT2ACA12CA1CA9GAA
SCHEMBL1017011 0.82 CA12 (0.68) CA12CA1CA9CA2CA7
SCHEMBL1017013 0.82 CA12 (0.68) CA12CA1CA9CA2CA7
SCHEMBL3034258 0.82 CA12 (0.51) KMT2ACA12CA1CA9GAA
SCHEMBL3034256 0.82 CA12 (0.51) KMT2ACA12CA1CA9GAA
SCHEMBL7747445 0.82 KDM4E (0.61) KMT2ACA12CA1CA9GAA
SCHEMBL7747441 0.82 KDM4E (0.61) KMT2ACA12CA1CA9GAA
SCHEMBL6984316 0.80 CA12 (0.65) KMT2ACA12CA1CA9CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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