SCHEMBL7742889

SCHEMBL7742889

CCOC(=O)/C=C/c1ccc(NC(=O)Cc2ccncc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA7 P43166 2/20 0.52
CA12 O43570 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
NAMPT P43490 4/20 0.50
MAPT P10636 4/20 0.50
CA5A P35218 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
CYP3A4 P08684 1/20 0.47
NPC1 O15118 2/20 0.47
KMT2A Q03164 6/20 0.47
MEN1 O00255 3/20 0.47
ALDH1A1 P00352 2/20 0.47
TTR P02766 1/20 0.46
DPP4 P27487 1/20 0.46
LMNA P02545 2/20 0.46

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
SCHEMBL7742893 1.00 RAB9A (0.53) RAB9ASMN1; SMN2CA1CA2CA7
SCHEMBL8566952 0.83 KMT2A (0.59) RAB9ACA1CA2CA7CA12
SCHEMBL8566955 0.83 KMT2A (0.59) RAB9ACA1CA2CA7CA12
SCHEMBL7742831 0.82 CA1 (0.56) RAB9ASMN1; SMN2CA1CA2CA7
SCHEMBL7742832 0.82 CA1 (0.56) RAB9ASMN1; SMN2CA1CA2CA7
SCHEMBL7746772 0.82 CA12 (0.63) RAB9ASMN1; SMN2CA1CA2CA7
SCHEMBL7746773 0.82 CA12 (0.63) RAB9ASMN1; SMN2CA1CA2CA7
SCHEMBL7748413 0.81 CA1 (0.52) RAB9ACA1CA2CA7CA12
SCHEMBL7748417 0.81 CA1 (0.52) RAB9ACA1CA2CA7CA12
SCHEMBL1017011 0.80 CA12 (0.68) RAB9ACA1CA2CA7CA12

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