SCHEMBL7748417

SCHEMBL7748417

CCOC(=O)C=Cc1ccc(NC(=O)Cc2ccccn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.52
CA2 P00918 2/20 0.52
CA7 P43166 2/20 0.52
CA5A P35218 1/20 0.52
CA5B Q9Y2D0 1/20 0.52
CA12 O43570 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 3/20 0.48
MAPT P10636 4/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 2/20 0.47
EPHX2 P34913 1/20 0.47
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
EGFR P00533 1/20 0.45
THRB P10828 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
SCHEMBL7748413 1.00 CA1 (0.52) CA1CA2CA7CA5ACA5B
SCHEMBL7749816 0.83 CA1 (0.58) CA1CA2CA7CA5ACA5B
SCHEMBL7749824 0.83 CA1 (0.58) CA1CA2CA7CA5ACA5B
SCHEMBL7742889 0.81 RAB9A (0.53) CA1CA2CA7CA5ACA5B
SCHEMBL7742893 0.81 RAB9A (0.53) CA1CA2CA7CA5ACA5B
SCHEMBL7746773 0.79 CA12 (0.63) CA1CA2CA7CA12CA9
SCHEMBL7746772 0.79 CA12 (0.63) CA1CA2CA7CA12CA9
SCHEMBL7748604 0.79 ALDH1A1 (0.58) CA1CA2CA7CA12CA9
SCHEMBL7748607 0.79 ALDH1A1 (0.58) CA1CA2CA7CA12CA9
SCHEMBL7747223 0.76 MAPT (0.63) CA1CA2CA7CA12CA9

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-0622361-B1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2001-10-04 EP disclosed
US-6169095-B1 FOR PREVENTION AND/OR TREATMENT OF BRADYKININ OR ITS ANALOGUES MEDIATED DISEASES IN THE EYE, SUCH AS ALLERGY, INFLAMMATION AND PAIN OF THE EYE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-02 US disclosed
US-5922711-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, AUTOIMMUNE DISEASES, SHOCK OR ANALGESICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-07-13 US disclosed
US-5708173-A PREPARATION OF SUBSTITUTED QUINOLINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-01-13 US disclosed
US-5563162-A CAN BE ADMINISTERD FOR THE TREATMENT OF ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASES, SHOCK OR PAIN IN ANIMALS AND HUMANS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-08 US disclosed
EP-0622361-A1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-02 EP disclosed