SCHEMBL7997580

SCHEMBL7997580

CC=C(CC)Oc1c(OC(C)=O)c(=O)n(C)c2cc([N+](=O)[O-])ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RECQL P46063 1/20 0.39
MAPT P10636 5/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 1/20 0.36
CNR1 P21554 1/20 0.35
ACHE P22303 1/20 0.35
CNR2 P34972 1/20 0.35
HTT P42858 2/20 0.35
TP53 P04637 1/20 0.34
BCL9 O00512 1/20 0.34
CTNNB1 P35222 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL8001123 0.90 CYP1A2 (0.38) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL7997465 0.89 CYP1A2 (0.43) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL7988414 0.88 CYP1A2 (0.36) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL8000520 0.88 CNR1 (0.39) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL8000877 0.87 CYP1A2 (0.36) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL8000691 0.86 CYP1A2 (0.38) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL7999732 0.86 CNR1 (0.45) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL8004060 0.86 MAPT (0.43) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL7997886 0.86 MAPT (0.43) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL7998954 0.85 HTR1A (0.36) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A

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