SCHEMBL7997755

SCHEMBL7997755

COc1c(OCC=C(C)CCC=C(C)C)c2ccc([N+](=O)[O-])cc2n(C)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.45
TDP1 Q9NUW8 5/20 0.42
MAPT P10636 5/20 0.42
CYP3A4 P08684 4/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
MAPK1 P28482 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP2E1 P05181 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2B6 P20813 1/20 0.42
CYP3A5 P20815 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NDUFS8 O00217 2/20 0.39
COXFA4 O00483 2/20 0.39

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
SCHEMBL7997751 1.00 BACE1 (0.45) BACE1TDP1MAPTCYP3A4KDM4E
SCHEMBL8002153 0.96 BACE1 (0.45) BACE1TDP1MAPTCYP3A4KDM4E
SCHEMBL8002160 0.96 BACE1 (0.45) BACE1TDP1MAPTCYP3A4KDM4E
SCHEMBL8004263 0.94 TDP1 (0.43) BACE1TDP1MAPTCYP3A4KDM4E
SCHEMBL8004269 0.94 TDP1 (0.43) BACE1TDP1MAPTCYP3A4KDM4E
SCHEMBL8004899 0.93 TDP1 (0.41) BACE1TDP1MAPTCYP3A4KDM4E
SCHEMBL8004906 0.93 TDP1 (0.41) BACE1TDP1MAPTCYP3A4KDM4E
SCHEMBL8000789 0.92 TDP1 (0.42) BACE1TDP1MAPTCYP3A4KDM4E
SCHEMBL8000786 0.92 TDP1 (0.42) BACE1TDP1MAPTCYP3A4KDM4E
SCHEMBL8001120 0.91 MAPT (0.39) TDP1MAPTCYP3A4KDM4EALDH1A1

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