SCHEMBL16359684

SCHEMBL16359684

CCN(CC)CC(O)COC1=CC=C(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 14/20 0.42
SIRT1 Q96EB6 1/20 0.41
TP53 P04637 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.38
ALOX15 P16050 1/20 0.38
MAPT P10636 2/20 0.38
ABCB1 P08183 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL763574 0.88 TP53 (0.46) KIF11SIRT1TP53SMN1; SMN2LMNA
SCHEMBL16359685 0.85 KIF11 (0.41) KIF11SIRT1TP53SMN1; SMN2LMNA
SCHEMBL16358487 0.82 SIRT1 (0.42) KIF11SIRT1TP53SMN1; SMN2MAPT
SCHEMBL16299521 0.82 KIF11 (0.48) KIF11SIRT1TP53SMN1; SMN2MAPT
SCHEMBL8404214 0.80 TP53 (0.46) KIF11SIRT1TP53SMN1; SMN2LMNA
SCHEMBL11917554 0.78 SIRT1 (0.40) KIF11SIRT1TP53SMN1; SMN2MAPT
SCHEMBL9965419 0.78 SIRT1 (0.40) KIF11SIRT1TP53SMN1; SMN2MAPT
SCHEMBL8593808 0.78 TP53 (0.47) KIF11SIRT1TP53SMN1; SMN2LMNA
SCHEMBL16314578 0.78 SIRT1 (0.45) KIF11SIRT1TP53SMN1; SMN2LMNA
SCHEMBL9962075 0.77 MAPT (0.48) KIF11SIRT1TP53SMN1; SMN2LMNA

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