SCHEMBL6579355

SCHEMBL6579355

CCCCN(C(=O)COc1ccc(OC)cc1)c1cc([N+](=O)[O-])ccc1C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 7/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPC1 O15118 1/20 0.42
MAPK1 P28482 3/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
CRHBP P24387 1/20 0.40

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
SCHEMBL6586138 0.93 SMN1; SMN2 (0.44) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL6579467 0.91 SMN1; SMN2 (0.45) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL6576522 0.85 SMN1; SMN2 (0.48) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL6579134 0.84 CYP1A2 (0.41) SMN1; SMN2MAPTCYP1A2CYP2D6NPC1
SCHEMBL6576899 0.83 SMN1; SMN2 (0.46) SMN1; SMN2MAPTKMT2ATDP1ALDH1A1
SCHEMBL6579241 0.80 SMN1; SMN2 (0.44) SMN1; SMN2MAPTKMT2ATDP1HTT
SCHEMBL6582316 0.80 SMN1; SMN2 (0.45) SMN1; SMN2MAPTKMT2ATDP1NPSR1
SCHEMBL6579171 0.79 SMN1; SMN2 (0.48) SMN1; SMN2MAPTKMT2ATDP1HTT
SCHEMBL6576729 0.79 SMN1; SMN2 (0.50) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL6579094 0.79 SMN1; SMN2 (0.46) SMN1; SMN2MAPTKMT2ATDP1ALDH1A1

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
EP-0927718-B1 Quinolinone derivative, method for preparing the same, and anti-allergic agent DAINIPPON INK & CHEMICALS (JP) 2004-02-25 EP disclosed
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