SCHEMBL8001687

SCHEMBL8001687

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ CNR2 P34972 6/20 0.41
▸ CNR1 P21554 3/20 0.41
▸ ACHE P22303 3/20 0.41
▸ KDM4E B2RXH2 4/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ PSMD14 O00487 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ HTT P42858 3/20 0.39
▸ LMNA P02545 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ IDO1 P14902 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 1.00 MAPT (0.45) MAPTMEN1KMT2ACNR2CNR1
SCHEMBL7997678 0.96 MEN1 (0.43) MAPTMEN1KMT2ACNR2CNR1
SCHEMBL7999657 0.89 MAPT (0.48) MAPTMEN1KMT2ACNR2CNR1
SCHEMBL8001065 0.89 MAPT (0.48) MAPTMEN1KMT2ACNR2CNR1
SCHEMBL8004570 0.89 CNR2 (0.49) MAPTMEN1KMT2ACNR2CNR1
SCHEMBL7988860 0.89 CNR2 (0.49) MAPTMEN1KMT2ACNR2CNR1
SCHEMBL6582030 0.89 MAPT (0.48) MAPTMEN1KMT2ACNR2CNR1
SCHEMBL8004184 0.89 CNR2 (0.49) MAPTMEN1KMT2ACNR2CNR1
SCHEMBL7997111 0.89 CNR2 (0.49) MAPTMEN1KMT2ACNR2CNR1
SCHEMBL7999456 0.89 CNR1 (0.46) MAPTMEN1KMT2ACNR2CNR1

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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