SCHEMBL16299552

SCHEMBL16299552

CC(I)COC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1ccc(OCCCCCl)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 11/20 0.49
SIRT1 Q96EB6 1/20 0.48
TP53 P04637 4/20 0.48
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ABCG2 Q9UNQ0 3/20 0.44
ABCB1 P08183 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL8403569 0.94 KIF11 (0.49) KIF11SIRT1TP53MAPTSMN1; SMN2
SCHEMBL764758 0.94 KIF11 (0.49) KIF11SIRT1TP53MAPTSMN1; SMN2
SCHEMBL8403607 0.91 SIRT1 (0.52) KIF11SIRT1TP53MAPTSMN1; SMN2
SCHEMBL13647309 0.90 SIRT1 (0.51) KIF11SIRT1TP53MAPTSMN1; SMN2
SCHEMBL763497 0.90 SIRT1 (0.51) KIF11SIRT1TP53MAPTSMN1; SMN2
SCHEMBL763634 0.89 TP53 (0.51) KIF11SIRT1TP53MAPTSMN1; SMN2
SCHEMBL8404188 0.89 TP53 (0.51) KIF11SIRT1TP53MAPTSMN1; SMN2
SCHEMBL11917335 0.89 TP53 (0.51) KIF11SIRT1TP53MAPTSMN1; SMN2
SCHEMBL14236713 0.88 KIF11 (0.48) KIF11SIRT1TP53MAPTSMN1; SMN2
SCHEMBL763609 0.88 TP53 (0.50) KIF11SIRT1TP53MAPTSMN1; SMN2

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
EP-1871375-B1 CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER PTC THERAPEUTICS INC (US) 2012-02-29 EP disclosed