SCHEMBL7843396

SCHEMBL7843396

O=C(c1ccco1)N1CCc2c([nH]c3ccc(Cl)cc23)C1C1(C(=O)O)CCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.57
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.57
SIRT1 Q96EB6 1/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
XBP1 P17861 1/20 0.46
CASP1 P29466 1/20 0.46
HTT P42858 1/20 0.46
CASP7 P55210 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KIF11 P52732 12/20 0.45
POLB P06746 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TDP1 Q9NUW8 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
SCHEMBL7852593 0.90 LMNA (0.46) TP53LMNAMAPTSIRT1KIF11
SCHEMBL7680170 0.88 LMNA (0.52) TP53LMNAMAPTSIRT1HPGD
SCHEMBL7853673 0.87 MAPKAPK2 (0.49) TP53LMNAMAPTSIRT1SMN1; SMN2
SCHEMBL7843919 0.87 ABCG2 (0.55) SIRT1KIF11ALDH1A1ABCB1ABCG2
SCHEMBL7854615 0.86 KIF11 (0.52) SIRT1KIF11ALDH1A1MAPKAPK2ABCB1
SCHEMBL7855705 0.85 SIRT1 (0.45) TP53LMNAMAPTSIRT1KIF11
SCHEMBL7853658 0.84 SIRT1 (0.46) TP53LMNAMAPTSIRT1KIF11
SCHEMBL7847564 0.84 SIRT1 (0.47) MAPTSIRT1KIF11MAPKAPK2ABCB1
SCHEMBL7680030 0.84 SIRT1 (0.62) TP53LMNASIRT1ALOX15KIF11
SCHEMBL7853788 0.83 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