SCHEMBL7676744

SCHEMBL7676744

CN1CCc2c([nH]c3ccc(Cl)cc23)C1C1(C(=O)O)CCCC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.54
SIRT1 Q96EB6 9/20 0.51
MAPKAPK2 P49137 2/20 0.48
SIRT2 Q8IXJ6 3/20 0.47
SIRT3 Q9NTG7 2/20 0.47
LMNA P02545 2/20 0.46
ALOX15 P16050 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL7852925 0.99 KIF11 (0.53) KIF11SIRT1MAPKAPK2SIRT2SIRT3
SCHEMBL7680175 0.98 KIF11 (0.54) KIF11SIRT1MAPKAPK2SIRT2SIRT3
SCHEMBL7851681 0.90 SIRT1 (0.54) KIF11SIRT1SIRT2SIRT3LMNA
Hydrochloric Acid SCHEMBL7683415 0.89 SIRT1 (0.53) KIF11SIRT1SIRT2SIRT3LMNA
SCHEMBL7677808 0.89 SIRT1 (0.55) KIF11SIRT1SIRT2SIRT3LMNA
SCHEMBL7677047 0.86 MEN1 (0.55) KIF11SIRT1MAPKAPK2SIRT2SIRT3
SCHEMBL7855814 0.86 MAPKAPK2 (0.66) SIRT1MAPKAPK2SMN1; SMN2TP53MAPT
SCHEMBL7680030 0.86 SIRT1 (0.62) KIF11SIRT1MAPKAPK2SIRT2SIRT3
Hydrochloric Acid SCHEMBL7674550 0.85 MEN1 (0.53) KIF11SIRT1MAPKAPK2SIRT2SIRT3
SCHEMBL7854483 0.84 MAPKAPK2 (0.66) SIRT1MAPKAPK2SMN1; SMN2TP53MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6350757-B1 Beta-carboline compounds LES LABORATOIRES SERVIER (FR) 2002-02-26 US disclosed
EP-1070716-A1 Beta-carboline derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-01-24 EP disclosed