SCHEMBL6581729

SCHEMBL6581729

COCC(=O)N(C)c1cc(NC(C)=O)ccc1C(=O)OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
CDK1 P06493 1/20 0.48
POLB P06746 1/20 0.41
KMT2A Q03164 5/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
MEN1 O00255 4/20 0.39
RORC P51449 1/20 0.39
MAPT P10636 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL6580873 0.90 TDP1 (0.56) TDP1SMN1; SMN2CDK1POLBKMT2A
SCHEMBL6579513 0.83 TDP1 (0.49) TDP1SMN1; SMN2CDK1POLBKMT2A
SCHEMBL6581118 0.82 MAPT (0.37) TDP1SMN1; SMN2KMT2AKDM4EALDH1A1
SCHEMBL6579806 0.81 ALDH1A1 (0.38) TDP1SMN1; SMN2POLBKMT2AKDM4E
SCHEMBL6579489 0.80 GAA (0.51) TDP1SMN1; SMN2KMT2AKDM4EALDH1A1
SCHEMBL6582277 0.80 NPC1 (0.60) SMN1; SMN2KMT2AMEN1MAPTNPC1
SCHEMBL6582272 0.80 NPC1 (0.60) SMN1; SMN2KMT2AMEN1MAPTNPC1
SCHEMBL6576914 0.79 TDP1 (0.44) TDP1SMN1; SMN2POLBKMT2AALDH1A1
SCHEMBL6579059 0.79 PLK1 (0.39) TDP1KDM4ELMNACYP1A2RAB9A
SCHEMBL6581152 0.79 PLK1 (0.39) TDP1KDM4ELMNACYP1A2RAB9A

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