SCHEMBL7748677

SCHEMBL7748677

CCOC(=O)C=Cc1ccc(N(Cc2cccnc2)C(=O)COC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
THRB P10828 1/20 0.44
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TBXAS1 P24557 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL7748671 1.00 MEN1 (0.49) MEN1KMT2ACA12CA1CA2
SCHEMBL7750198 0.90 CYP3A4 (0.50) MEN1KMT2ACA12CA1CA2
SCHEMBL7750195 0.90 CYP3A4 (0.50) MEN1KMT2ACA12CA1CA2
SCHEMBL7747231 0.89 TBXAS1 (0.56) MEN1KMT2ATHRBMAPK1NPSR1
SCHEMBL7747227 0.89 TBXAS1 (0.56) MEN1KMT2ATHRBMAPK1NPSR1
SCHEMBL10988833 0.80 PDK1 (0.47) KMT2ACYP3A4PDK1
SCHEMBL11066167 0.78 TBXAS1 (0.68) MEN1KMT2ACA12CA1CA2
SCHEMBL10752973 0.78 TBXAS1 (0.68) MEN1KMT2ACA12CA1CA2
SCHEMBL7748091 0.76 TBXAS1 (0.62) MEN1KMT2ATHRBMAPK1NPSR1
SCHEMBL7748094 0.76 TBXAS1 (0.62) MEN1KMT2ATHRBMAPK1NPSR1

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