SCHEMBL9828040

SCHEMBL9828040

O=[N+]([O-])c1ccc(C=Cc2ccc3ccccc3c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.69
MAOB P27338 1/20 0.69
CYP19A1 P11511 2/20 0.65
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
MAPT P10636 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
MAPK1 P28482 1/20 0.61
HTT P42858 1/20 0.61
RELA Q04206 1/20 0.61
NFE2L2 Q16236 2/20 0.57
PTGS2 P35354 5/20 0.56
PTGS1 P23219 2/20 0.56
APP P05067 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HPGD P15428 1/20 0.54
FBP1 P09467 1/20 0.53
IKBKB O14920 1/20 0.52
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL9828035 1.00 MAOA (0.69) MAOAMAOBCYP19A1NPC1RAB9A
SCHEMBL6803948 0.87 NFE2L2 (0.73) MAOAMAOBCYP19A1NPC1RAB9A
SCHEMBL6803950 0.87 NFE2L2 (0.73) MAOAMAOBCYP19A1NPC1RAB9A
SCHEMBL1405433 0.81 CYP19A1 (0.72) MAOBCYP19A1NPC1RAB9AMAPT
SCHEMBL29136503 0.81 CYP19A1 (0.72) MAOBCYP19A1NPC1RAB9AMAPT
SCHEMBL1405432 0.81 CYP19A1 (0.72) MAOBCYP19A1NPC1RAB9AMAPT
SCHEMBL14947048 0.81 APP (0.78) MAOBCYP19A1NPC1RAB9AMAPT
SCHEMBL458178 0.81 APP (0.78) MAOBCYP19A1NPC1RAB9AMAPT
SCHEMBL458177 0.81 APP (0.78) MAOBCYP19A1NPC1RAB9AMAPT
SCHEMBL9170800 0.81 APP (0.78) MAOBCYP19A1NPC1RAB9AMAPT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0221346-B1 (N-SUBSTITUTED-2-HYDROXY) BENZAMIDES AND N-SUBSTITUTED-2-HYDROXY-ALPHA-OXO-BENZENEACETAMIDES AND PHARMACEUTICAL COMPOSITIONS THEREOF HAVING ACTIVITY AS MODULATORS OF THE ARACHIDONIC ACID CASCADE WARNER-LAMBERT COMPANY (US) 1991-01-30 EP disclosed
US-4939133-A N-substituted-2-hydroxy-α-oxo-benzeneacetamides and pharmaceutical compositions having activity as modulators of the arachidonic acid cascade WARNER-LAMBERT COMPANY (US) 1990-07-03 US disclosed
US-4921871-A LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1990-05-01 US disclosed
US-4874758-A LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1989-10-17 US disclosed
US-4868205-A ANTIALLERGENS, ANTIINFLAMMATORY, CARDIOVASCULAR DISORDERS WARNER-LAMBERT COMPANY (US) 1989-09-19 US disclosed
US-4868200-A LEUKOTRIENES, LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1989-09-19 US disclosed
US-4868195-A ENZYME INHIBITORS, ANTIALLERGEN, ASTHMA, CARDIOVASCULAR, ANTIINFLAMMATORY WARNER-LAMBERT COMPANY (US) 1989-09-19 US disclosed
US-4868199-A ENZYME INHIBITORS, ANTIALLERGEN, ASTHMA, CARDIOVASCULAR, ANTIINFLAMMATORY WARNER-LAMBERT COMPANY (US) 1989-09-19 US disclosed
US-4761424-A Enolamides, pharmaceutical compositions and methods for treating inflammation WARNER-LAMBERT COMPANY (US) 1988-08-02 US disclosed
EP-0221346-A1 (N-substituted-2-hydroxy) benzamides and N-substituted-2-hydroxy-alpha-oxo-benzeneacetamides and pharmaceutical compositions thereof having activity as modulators of the arachidonic acid cascade WARNER-LAMBERT COMPANY (US) 1987-05-13 EP disclosed
EP-0221345-A1 Novel enolamides, process for their manufacture and pharmaceutical compositions thereof with an activity as modulators of the arachidonic acid cascade WARNER-LAMBERT COMPANY (US) 1987-05-13 EP disclosed