SCHEMBL4749256

SCHEMBL4749256

CCOC(=O)c1cnc2ccc(C(=O)NC)cc2c1Nc1ccc(O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.68
MAPT P10636 13/20 0.64
TP53 P04637 5/20 0.64
SMN1; SMN2 Q16637 7/20 0.61
GAA P10253 5/20 0.61
LMNA P02545 4/20 0.61
HTT P42858 3/20 0.61
MC4R P32245 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
MAPK1 P28482 1/20 0.61
CLK1 P49759 1/20 0.61
GSK3A P49840 1/20 0.61
GSK3B P49841 1/20 0.61
CREBBP Q92793 1/20 0.59
POLB P06746 1/20 0.59
ALDH1A1 P00352 2/20 0.58
KDM4E B2RXH2 1/20 0.58
PKM P14618 1/20 0.58
NPSR1 Q6W5P4 2/20 0.55

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
SCHEMBL4747226 0.94 PAX8 (0.70) PAX8MAPTTP53SMN1; SMN2GAA
SCHEMBL3656790 0.93 PAX8 (0.69) PAX8MAPTTP53SMN1; SMN2GAA
SCHEMBL4749983 0.92 PAX8 (0.68) PAX8MAPTTP53SMN1; SMN2GAA
SCHEMBL14042929 0.92 PAX8 (0.68) PAX8MAPTTP53SMN1; SMN2GAA
SCHEMBL4747164 0.92 PAX8 (0.80) PAX8MAPTTP53SMN1; SMN2GAA
SCHEMBL3790489 0.91 MAPT (0.71) PAX8MAPTTP53SMN1; SMN2GAA
SCHEMBL402212 0.91 PAX8 (0.67) PAX8MAPTTP53SMN1; SMN2GAA
SCHEMBL3791913 0.91 PAX8 (0.69) PAX8MAPTTP53SMN1; SMN2GAA
SCHEMBL403648 0.90 PAX8 (0.68) PAX8MAPTTP53SMN1; SMN2GAA
SCHEMBL5332891 0.90 PAX8 (0.83) PAX8MAPTTP53SMN1; SMN2GAA

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
WO-2008119771-A2 QUINOLINE-S-CARBOXYLIC ACID DERIVATIVES AS TYROSINE KINASE INHIBITORS CLANOTECH AB (SE) 2008-10-09 WO claimed
WO-2008119771-A2 QUINOLINE-S-CARBOXYLIC ACID DERIVATIVES AS TYROSINE KINASE INHIBITORS CLANOTECH AB (SE) 2008-10-09 WO disclosed
WO-2008119771-A2 QUINOLINE-S-CARBOXYLIC ACID DERIVATIVES AS TYROSINE KINASE INHIBITORS CLANOTECH AB (SE) 2008-10-09 WO disclosed