SCHEMBL7998962

SCHEMBL7998962

COCOc1c(OC(C)=O)c(=O)n(C)c2cc([N+](=O)[O-])ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RECQL P46063 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 6/20 0.37
F2RL3 Q96RI0 1/20 0.37
POLB P06746 2/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPK1 P28482 1/20 0.37
F2 P00734 1/20 0.36
PLAU P00749 1/20 0.36
ELANE P08246 1/20 0.36
CTRB1 P17538 1/20 0.36
PTPN1 P18031 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL8004395 0.89 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2RECQLMEN1
SCHEMBL8004354 0.88 RECQL (0.44) KDM4EALDH1A1SMN1; SMN2RECQLMEN1
SCHEMBL7988868 0.88 F2RL3 (0.40) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL8004238 0.86 ALDH1A1 (0.42) KDM4EALDH1A1SMN1; SMN2RECQLMEN1
SCHEMBL7997575 0.85 ALDH1A1 (0.39) KDM4EALDH1A1SMN1; SMN2RECQLMEN1
SCHEMBL8004791 0.85 CNR1 (0.45) KDM4EALDH1A1SMN1; SMN2RECQLMEN1
SCHEMBL7988446 0.84 MAPT (0.41) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL7998964 0.82 RECQL (0.45) KDM4EALDH1A1SMN1; SMN2RECQLMEN1
SCHEMBL7997580 0.81 ALDH1A1 (0.42) KDM4EALDH1A1SMN1; SMN2RECQLMEN1
SCHEMBL8000789 0.81 TDP1 (0.42) KDM4EALDH1A1SMN1; 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