SCHEMBL7747451

SCHEMBL7747451

CN(C(=O)c1cccc([N+](=O)[O-])c1)c1ccccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.61
ACHE P22303 1/20 0.55
HTT P42858 4/20 0.54
KDM4E B2RXH2 2/20 0.54
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
ALDH1A1 P00352 9/20 0.51
ATM Q13315 1/20 0.51
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
AGTR1 P30556 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
LMNA P02545 1/20 0.49
OPRK1 P41145 1/20 0.49
MAPT P10636 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 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
SCHEMBL7375901 0.85 MEN1 (0.64) TP53KDM4EALDH1A1ATMCES2
SCHEMBL16964541 0.79 ATM (0.60) TP53HTTKDM4EALDH1A1ATM
SCHEMBL6316045 0.79 TSHR (0.58) TP53KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL7749655 0.79 ALDH1A1 (0.47) TP53HTTKDM4EALDH1A1RAB9A
SCHEMBL3347418 0.77 ALDH1A1 (0.67) TP53HTTALDH1A1ATMCES2
SCHEMBL30568852 0.77 ALDH1A1 (0.67) TP53HTTALDH1A1ATMCES2
SCHEMBL13702353 0.76 HDAC8 (0.49) HTTKDM4ECYP3A4ALDH1A1SMN1; SMN2
SCHEMBL4766134 0.75 ATM (0.56) TP53HTTALDH1A1ATMCES2
SCHEMBL7968892 0.74 TP53 (0.57) TP53ACHEHTTKDM4ECYP1A2
SCHEMBL10693048 0.74 HTT (0.71) TP53HTTKDM4ECYP1A2CYP3A4

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