SCHEMBL9828022

SCHEMBL9828022

Cc1ccc(C=Cc2ccc([N+](=O)[O-])cc2)cc1C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
TDP1 Q9NUW8 2/20 0.63
TSHR P16473 2/20 0.63
CYP19A1 P11511 2/20 0.62
PTGS2 P35354 6/20 0.59
PTGS1 P23219 2/20 0.57
NFE2L2 Q16236 3/20 0.57
APP P05067 1/20 0.56
MAPT P10636 4/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
FBP1 P09467 1/20 0.55
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TLR9 Q9NR96 1/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
CYP3A4 P08684 1/20 0.49

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
SCHEMBL9828020 1.00 ALDH1A1 (0.63) ALDH1A1TDP1TSHRCYP19A1PTGS2
SCHEMBL3675450 0.83 PTGS2 (0.71) CYP19A1PTGS2PTGS1APPMAPT
SCHEMBL3675448 0.83 PTGS2 (0.71) CYP19A1PTGS2PTGS1APPMAPT
SCHEMBL9170800 0.82 APP (0.78) CYP19A1PTGS2PTGS1NFE2L2APP
SCHEMBL9170804 0.82 APP (0.78) CYP19A1PTGS2PTGS1NFE2L2APP
SCHEMBL14947048 0.82 APP (0.78) CYP19A1PTGS2PTGS1NFE2L2APP
SCHEMBL458178 0.82 APP (0.78) CYP19A1PTGS2PTGS1NFE2L2APP
SCHEMBL458177 0.82 APP (0.78) CYP19A1PTGS2PTGS1NFE2L2APP
SCHEMBL1032987 0.82 PTGS2 (0.78) ALDH1A1TDP1CYP19A1PTGS2PTGS1
SCHEMBL1032986 0.82 PTGS2 (0.78) ALDH1A1TDP1CYP19A1PTGS2PTGS1

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-4868195-A ENZYME INHIBITORS, ANTIALLERGEN, ASTHMA, CARDIOVASCULAR, ANTIINFLAMMATORY WARNER-LAMBERT COMPANY (US) 1989-09-19 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-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