SCHEMBL16359281

SCHEMBL16359281

NOCCN1CCN(CCCOc2ccc(C3c4[nH]c5ccc(Cl)cc5c4CCN3C(=O)Oc3ccc(Cl)cc3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.46
MAPT P10636 3/20 0.45
TP53 P04637 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
ABCG2 Q9UNQ0 3/20 0.44
LMNA P02545 2/20 0.43
MCHR1 Q99705 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL8404276 0.92 TP53 (0.48) KIF11MAPTTP53SMN1; SMN2SIRT1
SCHEMBL763575 0.92 MAPT (0.46) KIF11MAPTTP53SMN1; SMN2SIRT1
SCHEMBL8403103 0.92 MAPT (0.47) KIF11MAPTTP53SMN1; SMN2SIRT1
SCHEMBL765008 0.92 MCHR1 (0.51) KIF11MAPTTP53SMN1; SMN2SIRT1
SCHEMBL8403105 0.92 MAPT (0.46) KIF11MAPTTP53SMN1; SMN2SIRT1
SCHEMBL763655 0.90 SIRT1 (0.47) KIF11MAPTTP53SMN1; SMN2SIRT1
SCHEMBL9962159 0.90 MAPT (0.45) KIF11MAPTTP53SMN1; SMN2SIRT1
SCHEMBL763955 0.90 MAPT (0.45) KIF11MAPTTP53SMN1; SMN2SIRT1
SCHEMBL764244 0.90 LMNA (0.52) KIF11MAPTTP53SMN1; SMN2SIRT1
SCHEMBL764992 0.90 MEN1 (0.48) KIF11MAPTTP53SMN1; SMN2SIRT1

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-2005089764-A9 CARBOLINE DERIVATIVES USEFUL IN THE INHIBITION OF ANGIOGENESIS PTC THERAPEUTICS INC (US) 2007-09-13 WO disclosed