SCHEMBL6663620

SCHEMBL6663620

CCC(=O)C(Oc1cc(-c2nc3ccccc3[nH]2)[nH]n1)C(Oc1cc(-c2nc3ccccc3[nH]2)[nH]n1)C(=O)c1ccc(N(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FOXO1 Q12778 14/20 0.47
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
ACHE P22303 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PAK4 O96013 1/20 0.37
CDK2 P24941 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4912795 0.80 FOXO1 (0.51) FOXO1SIRT2SIRT1ACHENPC1
SCHEMBL4915117 0.72 FOXO1 (0.49) FOXO1ACHENPC1MEN1KMT2A
SCHEMBL13373803 0.70 FOXO1 (0.52) FOXO1NPC1RAB9AKMT2AKDM4E
SCHEMBL4910701 0.69 NPC1 (0.52) FOXO1ACHENPC1RAB9AMEN1
SCHEMBL4923449 0.69 FOXO1 (0.54) FOXO1ACHENPC1RAB9AMEN1
SCHEMBL22488738 0.69 FOXO1 (0.74) FOXO1ACHE
SCHEMBL4923160 0.69 KDM4E (0.54) FOXO1NPC1RAB9AMEN1KMT2A
SCHEMBL4910663 0.69 FOXO1 (0.55) FOXO1ACHEMEN1KMT2AKDM4E
SCHEMBL4913053 0.68 NPC1 (0.52) FOXO1ACHENPC1RAB9AMEN1
SCHEMBL4923470 0.67 FOXO1 (0.48) FOXO1ACHEMEN1KMT2AKDM4E

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
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 WO disclosed