SCHEMBL7747231

SCHEMBL7747231

COCC(=O)N(Cc1cccnc1)c1ccc(C=CC(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 4/20 0.56
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
POLB P06746 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
THRB P10828 1/20 0.46
TRPM8 Q7Z2W7 3/20 0.46
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL7747227 1.00 TBXAS1 (0.56) TBXAS1MEN1KMT2APOLBL3MBTL1
SCHEMBL7748677 0.89 MEN1 (0.49) TBXAS1MEN1KMT2AHDAC3HDAC4
SCHEMBL7748671 0.89 MEN1 (0.49) TBXAS1MEN1KMT2AHDAC3HDAC4
SCHEMBL7748094 0.85 TBXAS1 (0.62) TBXAS1MEN1KMT2APOLBL3MBTL1
SCHEMBL7748091 0.85 TBXAS1 (0.62) TBXAS1MEN1KMT2APOLBL3MBTL1
SCHEMBL10988833 0.82 PDK1 (0.47) KMT2AGAATSHRCYP3A4
SCHEMBL7670558 0.81 TBXAS1 (0.58) TBXAS1MEN1KMT2APOLBL3MBTL1
SCHEMBL7750198 0.77 CYP3A4 (0.50) TBXAS1MEN1KMT2AL3MBTL1HDAC3
SCHEMBL7750195 0.77 CYP3A4 (0.50) TBXAS1MEN1KMT2AL3MBTL1HDAC3
SCHEMBL10694467 0.74 GAA (0.54) POLBL3MBTL1TRPM8GAATSHR

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