SCHEMBL4749689

SCHEMBL4749689

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.64
MAPT P10636 12/20 0.60
TP53 P04637 5/20 0.60
SMN1; SMN2 Q16637 6/20 0.58
GAA P10253 5/20 0.58
LMNA P02545 3/20 0.58
HTT P42858 3/20 0.58
MC4R P32245 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
MAPK1 P28482 1/20 0.58
CLK1 P49759 1/20 0.58
GSK3A P49840 1/20 0.58
GSK3B P49841 1/20 0.58
CREBBP Q92793 1/20 0.56
POLB P06746 1/20 0.56
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 1/20 0.55
PKM P14618 1/20 0.55
MEN1 O00255 1/20 0.52

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
SCHEMBL4747116 0.90 PAX8 (0.67) PAX8MAPTTP53SMN1; SMN2GAA
SCHEMBL3792028 0.88 PAX8 (0.65) PAX8MAPTTP53SMN1; SMN2GAA
SCHEMBL4749734 0.88 PAX8 (0.67) PAX8MAPTTP53SMN1; SMN2GAA
SCHEMBL4746514 0.87 PAX8 (0.64) PAX8MAPTTP53SMN1; SMN2GAA
SCHEMBL3782311 0.85 GAA (0.67) PAX8MAPTTP53SMN1; SMN2GAA
SCHEMBL4746705 0.83 CREBBP (0.59) PAX8MAPTTP53SMN1; SMN2GAA
SCHEMBL4750544 0.81 MAPT (0.68) PAX8MAPTTP53SMN1; SMN2GAA
SCHEMBL4750342 0.80 MAPT (0.58) PAX8MAPTTP53SMN1; SMN2GAA
SCHEMBL4746799 0.80 MAPT (0.67) PAX8MAPTTP53SMN1; SMN2GAA
SCHEMBL5331022 0.80 PAX8 (0.79) 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 2 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