SCHEMBL7746602

SCHEMBL7746602

COCCNC(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
LMNA P02545 4/20 0.68
HPGD P15428 3/20 0.68
L3MBTL1 Q9Y468 3/20 0.68
SMN1; SMN2 Q16637 1/20 0.66
POLB P06746 2/20 0.62
ATM Q13315 1/20 0.62
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
MAPT P10636 2/20 0.57
HTT P42858 1/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57

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
SCHEMBL16111621 0.92 ALDH1A1 (0.62) ALDH1A1LMNAHPGDL3MBTL1SMN1; SMN2
SCHEMBL1578309 0.86 MEN1 (0.72) ALDH1A1LMNAHPGDL3MBTL1SMN1; SMN2
SCHEMBL656530 0.86 ALDH1A1 (0.71) ALDH1A1LMNAHPGDL3MBTL1SMN1; SMN2
SCHEMBL17834029 0.85 MEN1 (0.67) ALDH1A1LMNAHPGDL3MBTL1POLB
SCHEMBL8298069 0.84 ALDH1A1 (0.70) ALDH1A1LMNAHPGDL3MBTL1SMN1; SMN2
SCHEMBL6835143 0.84 ALDH1A1 (0.71) ALDH1A1LMNAHPGDL3MBTL1SMN1; SMN2
SCHEMBL9492603 0.84 ALDH1A1 (0.76) ALDH1A1LMNAHPGDL3MBTL1SMN1; SMN2
SCHEMBL5507075 0.83 ALDH1A1 (0.70) ALDH1A1LMNAHPGDL3MBTL1SMN1; SMN2
SCHEMBL6160168 0.83 RAB9A (0.66) ALDH1A1LMNAHPGDL3MBTL1SMN1; SMN2
SCHEMBL10700572 0.83 ALDH1A1 (0.59) ALDH1A1LMNAHPGDL3MBTL1SMN1; SMN2

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 8 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
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
CN-1097417-A New heterogeneous ring compound FUJISAWA PHARMACEUTICAL CO (JP) 1995-01-18 CN disclosed
EP-0622361-A1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-02 EP disclosed