SCHEMBL7964620

SCHEMBL7964620

CCCCCCCCOc1c(O)c2cc([N+](=O)[O-])ccc2n(C)c1=O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.53
ACHE P22303 3/20 0.53
CNR2 P34972 3/20 0.53
MAPT P10636 6/20 0.44
F2RL3 Q96RI0 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP19A1 P11511 4/20 0.43
KCNH2 Q12809 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 2/20 0.41
F2R P25116 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL6579208 0.91 CNR1 (0.48) CNR1ACHECNR2MAPTMEN1
SCHEMBL6579357 0.91 CNR1 (0.48) CNR1ACHECNR2MAPTMEN1
SCHEMBL7989259 0.91 CNR1 (0.48) CNR1ACHECNR2MAPTMEN1
SCHEMBL7977928 0.89 CNR2 (0.52) CNR1ACHECNR2MAPTMEN1
SCHEMBL7988394 0.87 MAPT (0.45) CNR1ACHECNR2MAPTF2RL3
SCHEMBL7988860 0.85 CNR2 (0.49) CNR1ACHECNR2MAPTMEN1
SCHEMBL8001946 0.85 CNR2 (0.47) CNR1ACHECNR2MAPTMEN1
SCHEMBL8004184 0.85 CNR2 (0.49) CNR1ACHECNR2MAPTMEN1
SCHEMBL8004570 0.85 CNR2 (0.49) CNR1ACHECNR2MAPTMEN1
SCHEMBL7997111 0.85 CNR2 (0.49) CNR1ACHECNR2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6271416-B1 O-(HYDROCARBONOXYACETAMIDO)BENZOIC ACID DERIVATIVES AS INTERMEDIATES DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-08-07 US disclosed
US-6136822-A ETHER, HYDROXY QUINOLINONE COMPOUNDS DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-10-24 US disclosed
EP-0927718-A1 Quinolinone derivative, method for preparing the same, and anti-allergic agent DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-07-07 EP disclosed