SCHEMBL16359685

SCHEMBL16359685

CCOC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1C1=CC=C(OCC(O)CN(CCOC)CCOC)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 15/20 0.41
SIRT1 Q96EB6 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL763956 0.87 TP53 (0.46) KIF11MEN1KMT2ALMNAMAPT
SCHEMBL16359684 0.85 KIF11 (0.42) KIF11SIRT1MEN1KMT2ALMNA
SCHEMBL16359931 0.83 SIRT1 (0.48) KIF11SIRT1MEN1KMT2ALMNA
SCHEMBL16358487 0.81 SIRT1 (0.42) KIF11SIRT1MAPTTP53SMN1; SMN2
SCHEMBL763841 0.81 TP53 (0.45) KIF11MEN1KMT2ALMNAMAPT
SCHEMBL8404214 0.80 TP53 (0.46) KIF11SIRT1LMNAMAPTTP53
SCHEMBL8404053 0.80 TP53 (0.43) KIF11SIRT1MAPTTP53SMN1; SMN2
SCHEMBL8404209 0.78 TP53 (0.52) KIF11LMNAMAPTTP53SMN1; SMN2
SCHEMBL11912559 0.78 TP53 (0.44) KIF11SIRT1MEN1KMT2ALMNA
SCHEMBL22510289 0.78 SIRT1 (0.44) KIF11SIRT1MEN1KMT2ALMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008127715-A1 CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISEASES PTC THERAPEUTICS, INC. (US) 2008-10-23 WO disclosed