SCHEMBL7742832

SCHEMBL7742832

O=C(O)C=Cc1ccc(NC(=O)Cc2ccncc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA5A P35218 1/20 0.56
CA7 P43166 1/20 0.56
CA5B Q9Y2D0 1/20 0.56
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 1/20 0.54
LMNA P02545 3/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TBXAS1 P24557 4/20 0.48
CYP1A2 P05177 2/20 0.48
USP2 O75604 1/20 0.48
MEN1 O00255 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
EPHX2 P34913 1/20 0.47

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
SCHEMBL7742831 1.00 CA1 (0.56) CA1CA2CA5ACA7CA5B
SCHEMBL7742889 0.82 RAB9A (0.53) CA1CA2CA5ACA7CA5B
SCHEMBL7742893 0.82 RAB9A (0.53) CA1CA2CA5ACA7CA5B
SCHEMBL6965107 0.78 GAA (0.67) CA2RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL6965101 0.78 GAA (0.67) CA2RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL7749824 0.77 CA1 (0.58) CA1CA2CA5ACA7CA5B
SCHEMBL7749816 0.77 CA1 (0.58) CA1CA2CA5ACA7CA5B
SCHEMBL7975559 0.77 TBXAS1 (0.57) CA1CA2CA5ACA7CA5B
SCHEMBL7975560 0.77 TBXAS1 (0.57) CA1CA2CA5ACA7CA5B
SCHEMBL9912421 0.77 HCAR2 (0.52) CA1CA2CA5ACA7CA5B

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-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-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