SCHEMBL7742884

SCHEMBL7742884

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.65
ALDH1A1 P00352 2/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
PARP10 Q53GL7 1/20 0.58
GSK3B P49841 2/20 0.55
BACE1 P56817 2/20 0.55
HPGD P15428 1/20 0.52
ALOX5 P09917 1/20 0.50
CYSLTR2 Q9NS75 1/20 0.49
CYSLTR1 Q9Y271 1/20 0.49
TBXAS1 P24557 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
PKM P14618 1/20 0.49
SRD5A2 P31213 1/20 0.49
THRB P10828 1/20 0.49
ATM Q13315 1/20 0.49
HDAC3 O15379 1/20 0.49
TNKS O95271 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49

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
SCHEMBL7742881 1.00 KDM4E (0.65) KDM4EALDH1A1SMN1; SMN2PARP10GSK3B
SCHEMBL7748604 0.83 ALDH1A1 (0.58) KDM4EALDH1A1SMN1; SMN2PARP10GSK3B
SCHEMBL7748607 0.83 ALDH1A1 (0.58) KDM4EALDH1A1SMN1; SMN2PARP10GSK3B
SCHEMBL16485455 0.83 GSK3B (0.59) KDM4EALDH1A1SMN1; SMN2PARP10GSK3B
SCHEMBL17003944 0.83 GSK3B (0.59) KDM4EALDH1A1SMN1; SMN2PARP10GSK3B
SCHEMBL25197272 0.81 ABCG2 (0.60) KDM4EALDH1A1SMN1; SMN2PARP10ABCG2
SCHEMBL8740053 0.81 GSK3B (0.80) KDM4EALDH1A1SMN1; SMN2GSK3BBACE1
SCHEMBL527827 0.81 GSK3B (0.80) KDM4EALDH1A1SMN1; SMN2GSK3BBACE1
SCHEMBL527828 0.81 GSK3B (0.80) KDM4EALDH1A1SMN1; SMN2GSK3BBACE1
SCHEMBL17003815 0.80 MAPT (0.50) KDM4EALDH1A1SMN1; SMN2PARP10PKM

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