SCHEMBL6586138

SCHEMBL6586138

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 5/20 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
CYP19A1 P11511 1/20 0.42
KMT2A Q03164 3/20 0.41
LMNA P02545 3/20 0.41
TP53 P04637 2/20 0.41
MEN1 O00255 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK1 P28482 2/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL6579355 0.93 SMN1; SMN2 (0.44) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL6579467 0.91 SMN1; SMN2 (0.45) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL6581391 0.85 SMN1; SMN2 (0.48) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL6577093 0.84 SMN1; SMN2 (0.42) SMN1; SMN2MAPTKMT2ATP53MEN1
SCHEMBL6581436 0.84 LMNA (0.44) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL6576899 0.83 SMN1; SMN2 (0.46) SMN1; SMN2MAPTCYP19A1KMT2ATP53
SCHEMBL6579241 0.80 SMN1; SMN2 (0.44) SMN1; SMN2MAPTKMT2ATP53MEN1
SCHEMBL6582316 0.80 SMN1; SMN2 (0.45) SMN1; SMN2MAPTKMT2ALMNATP53
SCHEMBL6579171 0.79 SMN1; SMN2 (0.48) SMN1; SMN2MAPTKMT2ATP53MEN1
SCHEMBL6582192 0.79 SMN1; SMN2 (0.42) SMN1; SMN2MAPTCYP3A4KMT2ALMNA

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