SCHEMBL4750342

SCHEMBL4750342

CCOC(=O)c1cnc2ccc(C(=O)N(C)C)cc2c1Nc1cc(C)ccc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.58
TP53 P04637 5/20 0.58
SMN1; SMN2 Q16637 4/20 0.57
GAA P10253 4/20 0.57
MAPK1 P28482 2/20 0.55
PAX8 Q06710 1/20 0.55
AURKB Q96GD4 2/20 0.52
AURKA O14965 1/20 0.52
CREBBP Q92793 1/20 0.52
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
PKM P14618 1/20 0.51
LMNA P02545 3/20 0.51
MC4R P32245 2/20 0.51
HTT P42858 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
PTK2B Q14289 1/20 0.51

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
SCHEMBL14043044 0.88 MAPT (0.59) MAPTTP53SMN1; SMN2GAAMAPK1
SCHEMBL4749413 0.86 MAPT (0.62) MAPTTP53SMN1; SMN2GAAMAPK1
SCHEMBL4746705 0.85 CREBBP (0.59) MAPTTP53SMN1; SMN2GAAMAPK1
SCHEMBL4747116 0.83 PAX8 (0.67) MAPTTP53SMN1; SMN2GAAMAPK1
SCHEMBL4749734 0.81 PAX8 (0.67) MAPTTP53SMN1; SMN2GAAMAPK1
SCHEMBL4749689 0.80 PAX8 (0.64) MAPTTP53SMN1; SMN2GAAMAPK1
SCHEMBL4746514 0.80 PAX8 (0.64) MAPTTP53SMN1; SMN2GAAMAPK1
SCHEMBL4750538 0.80 MAPT (0.59) MAPTTP53SMN1; SMN2GAAMAPK1
SCHEMBL5331640 0.79 MAPT (0.83) MAPTTP53SMN1; SMN2GAAMAPK1
SCHEMBL4749614 0.78 MAPT (0.72) MAPTTP53SMN1; SMN2GAAMAPK1

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