SCHEMBL7847564

SCHEMBL7847564

O=C(c1ncccn1)N1CCc2c([nH]c3ccc(Cl)cc23)C1C1(C(=O)O)CCC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 4/20 0.47
KIF11 P52732 11/20 0.47
DHODH Q02127 1/20 0.45
MAPKAPK2 P49137 1/20 0.42
ABCB1 P08183 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
SIRT2 Q8IXJ6 2/20 0.42
SIRT3 Q9NTG7 2/20 0.42
MAPT P10636 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 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
SCHEMBL7851002 0.91 DHODH (0.54) SIRT1KIF11DHODHABCB1ABCG2
SCHEMBL7843919 0.88 ABCG2 (0.55) SIRT1KIF11ABCB1ABCG2
SCHEMBL7693228 0.88 MEN1 (0.48) SIRT1KIF11DHODHMAPT
SCHEMBL7855327 0.88 KIF11 (0.47) SIRT1KIF11MAPKAPK2ABCB1ABCG2
SCHEMBL7854615 0.87 KIF11 (0.52) SIRT1KIF11MAPKAPK2ABCB1ABCG2
SCHEMBL7853413 0.87 MAPT (0.55) SIRT1KIF11DHODHMAPKAPK2SIRT2
SCHEMBL7855042 0.86 ABCG2 (0.45) SIRT1KIF11ABCB1ABCG2MAPT
SCHEMBL7855705 0.85 SIRT1 (0.45) SIRT1KIF11MAPKAPK2SIRT2SIRT3
SCHEMBL7680030 0.85 SIRT1 (0.62) SIRT1KIF11MAPKAPK2SIRT2SIRT3
SCHEMBL7853788 0.85 SIRT1 (0.46) SIRT1KIF11MAPKAPK2ABCB1ABCG2

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-1070716-A1 Beta-carboline derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-01-24 EP disclosed