SCHEMBL7748477

SCHEMBL7748477

O=C(NCc1cccnc1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.84

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.84
LMNA P02545 2/20 0.84
MAPT P10636 1/20 0.84
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
HTT P42858 2/20 0.60
NFKB1 P19838 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.59
HPGD P15428 2/20 0.59
NAMPT P43490 1/20 0.59
MAPK1 P28482 1/20 0.59
POLB P06746 2/20 0.58
CACNA1B Q00975 1/20 0.58
APBA1 Q02410 1/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58

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
SCHEMBL11831527 0.90 ALDH1A1 (0.69) ALDH1A1LMNAMAPTCYP3A4HTT
SCHEMBL28805898 0.86 HTT (0.72) ALDH1A1LMNAMAPTCYP3A4HTT
SCHEMBL1083633 0.84 MEN1 (0.77) ALDH1A1LMNAMAPTCYP1A2CYP3A4
SCHEMBL3592277 0.80 POLB (0.63) ALDH1A1LMNAMAPTCYP1A2CYP3A4
SCHEMBL6939622 0.80 RXFP1 (0.64) ALDH1A1LMNAMAPTHTTNFKB1
SCHEMBL31546677 0.80 ALDH1A1 (0.63) ALDH1A1LMNAMAPTCYP1A2CYP3A4
SCHEMBL13623008 0.80 ALDH1A1 (0.63) ALDH1A1LMNAMAPTCYP1A2CYP3A4
SCHEMBL7082686 0.80 TSHR (0.73) ALDH1A1LMNAMAPTHTTSMN1; SMN2
SCHEMBL11628250 0.80 NPSR1 (0.67) ALDH1A1LMNAMAPTCYP1A2CYP3A4
SCHEMBL3647370 0.80 ALDH1A1 (0.64) ALDH1A1LMNAMAPTCYP1A2CYP3A4

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 12 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
CN-1043344-C New heterocyclic compounds KRONSEDER MASCHF KRONES (JP) 1999-05-12 CN 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
CN-1089947-A New heterogeneous ring compound FUJISAWA PHARMACEUTICAL CO (JP) 1994-07-27 CN disclosed
EP-0596406-A1 Imidazo (1,2-a) Pyridines as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-05-11 EP disclosed