SCHEMBL7748607

SCHEMBL7748607

CCOC(=O)C=Cc1ccc(OCc2ccccn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
KDM4E B2RXH2 2/20 0.58
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA7 P43166 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
PARP10 Q53GL7 1/20 0.52
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
HPGD P15428 2/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
MAPT P10636 2/20 0.48

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
SCHEMBL7748604 1.00 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2KDM4ECA12CA1
SCHEMBL7742881 0.83 KDM4E (0.65) ALDH1A1SMN1; SMN2KDM4EPARP10HPGD
SCHEMBL7742884 0.83 KDM4E (0.65) ALDH1A1SMN1; SMN2KDM4EPARP10HPGD
SCHEMBL6539315 0.82 GSK3B (0.68) SMN1; SMN2KDM4ECA12CA1CA2
SCHEMBL6539306 0.82 GSK3B (0.68) SMN1; SMN2KDM4ECA12CA1CA2
SCHEMBL2893403 0.81 CA12 (0.49) ALDH1A1CA12CA1CA2CA7
SCHEMBL2893402 0.81 CA12 (0.49) ALDH1A1CA12CA1CA2CA7
SCHEMBL16485455 0.81 GSK3B (0.59) ALDH1A1SMN1; SMN2KDM4EPARP10NPC1
SCHEMBL17003944 0.81 GSK3B (0.59) ALDH1A1SMN1; SMN2KDM4EPARP10NPC1
SCHEMBL1959915 0.80 CA12 (0.71) ALDH1A1SMN1; SMN2KDM4ECA12CA1

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