SCHEMBL14618142

SCHEMBL14618142

CC(C)(C)OC(=O)N1CCN(Cc2ccc(C(=O)Nc3ccccc3-c3nc4ccccc4[nH]3)cc2O)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 4/20 0.48
MAPK1 P28482 2/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 6/20 0.47
HPGD P15428 5/20 0.47
NPSR1 Q6W5P4 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2C9 P11712 1/20 0.47
SIRT1 Q96EB6 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
NTSR1 P30989 1/20 0.42
HTT P42858 1/20 0.42
TBK1 Q9UHD2 1/20 0.41
BACE1 P56817 1/20 0.41
CHEK1 O14757 1/20 0.41

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
SCHEMBL2740288 0.91 MEN1 (0.47) MEN1KMT2AALDH1A1KDM4EMAPK1
SCHEMBL14608036 0.86 MEN1 (0.60) MEN1KMT2AALDH1A1KDM4EMAPK1
SCHEMBL2739954 0.79 MEN1 (0.56) MEN1KMT2AALDH1A1KDM4EMAPK1
SCHEMBL14614790 0.78 MEN1 (0.39) MEN1KMT2AALDH1A1KDM4EMAPK1
SCHEMBL2740289 0.77 SIRT1 (0.54) MEN1KMT2AALDH1A1KDM4EMAPK1
SCHEMBL13470801 0.77 MEN1 (0.53) MEN1KMT2AALDH1A1KDM4EMAPK1
SCHEMBL2739953 0.77 PDCD1 (0.51) MEN1KMT2AALDH1A1KDM4EMAPK1
SCHEMBL14618011 0.76 CACNA1G (0.40) MEN1KMT2AALDH1A1KDM4EMAPK1
SCHEMBL30866246 0.75 NPC1 (0.58) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL26606466 0.75 NPC1 (0.58) MEN1KMT2AALDH1A1KDM4EMAPT

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
WO-2007019416-A1 BENZIMIDAZOLE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed