SCHEMBL7747413

SCHEMBL7747413

COCCN(CCOC)C(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
MLYCD O95822 1/20 0.52
TP53 P04637 1/20 0.51
MAPT P10636 3/20 0.51
HTT P42858 2/20 0.51
RAB9A P51151 3/20 0.50
TSHR P16473 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ATM Q13315 1/20 0.48
SETD7 Q8WTS6 1/20 0.48
HPGD P15428 1/20 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
SCHEMBL6336523 0.88 ALDH1A1 (0.52) ALDH1A1CES2CES1TP53MAPT
SCHEMBL6340922 0.83 CES2 (0.58) ALDH1A1CES2CES1TP53MAPT
SCHEMBL24497003 0.82 ALDH1A1 (0.60) ALDH1A1CES2CES1TP53MAPT
SCHEMBL11362571 0.81 OPRM1 (0.65) ALDH1A1CES2CES1TP53MAPT
SCHEMBL28476636 0.80 ALDH1A1 (0.55) ALDH1A1CES2CES1TP53MAPT
SCHEMBL9167379 0.80 ALDH1A1 (0.55) ALDH1A1CES2CES1TP53MAPT
SCHEMBL27616952 0.78 KMT2A (0.62) ALDH1A1CES2CES1MLYCDTP53
SCHEMBL10581340 0.77 MAPT (0.47) ALDH1A1CES2TP53MAPTHTT
SCHEMBL5251044 0.77 PARP1 (0.49) ALDH1A1MLYCDMAPTHTTTSHR
SCHEMBL7747053 0.77 KDM4E (0.46) ALDH1A1MLYCDMAPTHTTRAB9A

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 10 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
EP-0596406-B1 Imidazo (1,2-a) Pyridines as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 1998-12-16 EP disclosed
US-5750699-A HALOGENATING OF CORRESPONDING COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-05-12 US disclosed
US-5708173-A PREPARATION OF SUBSTITUTED QUINOLINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-01-13 US disclosed
US-5574042-A ANTAGONIST FOR BRADYKININS AS ANTIALLERGENS, AUTOIMMUNE DISEASES, ANTIINFLAMMATORY AGENTS, SHOCK OR PAIN FUJISAWA PHARMACEUTICAL CO., LTD (JP) 1996-11-12 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
EP-0596406-A1 Imidazo (1,2-a) Pyridines as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-05-11 EP disclosed