SCHEMBL7997678

SCHEMBL7997678

C=CCOc1c(O)c2ccc([N+](=O)[O-])cc2n(CCCC)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ PSMD14 O00487 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ KDM4E B2RXH2 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ CNR2 P34972 4/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ HPGD P15428 2/20 0.38
▸ IDO1 P14902 1/20 0.37
▸ HTR1A P08908 1/20 0.36
▸ NOX4 Q9NPH5 1/20 0.36
▸ SRC P12931 1/20 0.36

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
SCHEMBL7997255 0.96 MAPT (0.45) MEN1MAPTKMT2ACYP1A2PSMD14
SCHEMBL8001687 0.96 MAPT (0.45) MEN1MAPTKMT2ACYP1A2PSMD14
SCHEMBL8004127 0.90 CYP1A2 (0.45) MEN1MAPTKMT2ACYP1A2KDM4E
SCHEMBL7998708 0.89 CNR2 (0.43) MEN1MAPTKMT2ACYP1A2KDM4E
SCHEMBL7997500 0.88 CNR1 (0.40) MEN1MAPTKMT2ACYP1A2PSMD14
SCHEMBL8004828 0.88 MAPT (0.41) MEN1MAPTKMT2ACYP1A2PSMD14
SCHEMBL8001946 0.87 CNR2 (0.47) MEN1MAPTKMT2ACYP1A2KDM4E
SCHEMBL8001878 0.87 MAPT (0.39) MEN1MAPTKMT2ACYP1A2PSMD14
SCHEMBL7997858 0.87 CNR1 (0.43) MEN1MAPTKMT2ACYP1A2PSMD14
SCHEMBL8004065 0.86 KDM4E (0.44) MEN1MAPTKMT2ACYP1A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6114352-A Quinolinone derivative and anti-allergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-09-05 — — US disclosed
EP-0785190-B1 Quinolinone derivative and antiallergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK & CHEMICALS (JP) 2000-08-16 — — EP disclosed
US-5942521-A Quinolinone derivative and anti-allergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-08-24 — — US disclosed
EP-0785190-A2 Quinolinone derivative and antiallergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 1997-07-23 — — EP disclosed
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