SCHEMBL7855705

SCHEMBL7855705

O=C(c1ccno1)N1CCc2c([nH]c3ccc(Cl)cc23)C1C1(C(=O)O)CCC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 9/20 0.45
KIF11 P52732 8/20 0.43
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
SIRT2 Q8IXJ6 3/20 0.40
SIRT3 Q9NTG7 2/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL7844124 0.90 KIF11 (0.40) SIRT1KIF11MAPTALDH1A1
SCHEMBL7683829 0.88 LMNA (0.46) SIRT1KIF11LMNATP53MAPT
SCHEMBL7843396 0.85 TP53 (0.57) SIRT1KIF11LMNATP53MAPT
SCHEMBL7855327 0.85 KIF11 (0.47) SIRT1KIF11MAPTMAPKAPK2SIRT2
SCHEMBL7847564 0.85 SIRT1 (0.47) SIRT1KIF11MAPTMAPKAPK2SIRT2
SCHEMBL7854615 0.85 KIF11 (0.52) SIRT1KIF11MAPKAPK2SIRT2SIRT3
SCHEMBL7843919 0.84 ABCG2 (0.55) SIRT1KIF11ALDH1A1
SCHEMBL7852593 0.84 LMNA (0.46) SIRT1KIF11LMNATP53MAPT
SCHEMBL7851002 0.83 DHODH (0.54) SIRT1KIF11MAPT
SCHEMBL7853413 0.83 MAPT (0.55) SIRT1KIF11MAPTMAPKAPK2SIRT2

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