SCHEMBL4753986

SCHEMBL4753986

CN(C)c1cccc(C(=O)Nc2cccc(-c3nc4nc(CN5CCN(C(=O)O)CC5)ccc4o3)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 3/20 0.61
SMN1; SMN2 Q16637 5/20 0.47
GAA P10253 1/20 0.47
TRPV1 Q8NER1 2/20 0.46
KDM4E B2RXH2 4/20 0.44
MAPT P10636 6/20 0.43
RAB9A P51151 2/20 0.42
USP2 O75604 2/20 0.42
TP53 P04637 2/20 0.42
MAPK1 P28482 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
NPC1 O15118 1/20 0.42
TLR9 Q9NR96 2/20 0.42
ACKR3 P25106 1/20 0.42
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 2/20 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
SCHEMBL219376 0.90 SIRT1 (0.62) SIRT1SMN1; SMN2GAATRPV1KDM4E
SCHEMBL221562 0.90 SIRT1 (0.56) SIRT1SMN1; SMN2GAATRPV1KDM4E
SCHEMBL2739948 0.84 SIRT1 (0.71) SIRT1SMN1; SMN2GAAKDM4EMAPT
SCHEMBL2739949 0.80 SIRT1 (0.76) SIRT1SMN1; SMN2GAAKDM4EMAPT
SCHEMBL2739955 0.76 SIRT1 (1.00) SIRT1SMN1; SMN2GAAKDM4EMAPT
SCHEMBL2740017 0.71 SIRT1 (0.66) SIRT1SMN1; SMN2GAAKDM4EMAPT
SCHEMBL2740192 0.70 SIRT1 (0.69) SIRT1SMN1; SMN2GAAKDM4EMAPT
SCHEMBL2740113 0.70 SIRT1 (0.69) SIRT1SMN1; SMN2GAAKDM4EMAPT
SCHEMBL2740248 0.70 JAK3 (0.51) SIRT1SMN1; SMN2GAAKDM4EMAPT
SCHEMBL13253246 0.69 JAK3 (0.44) SMN1; SMN2GAAKDM4EMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910362-A1 IMIDAZOPYRIDINE DERIVATIVES AS SIRTUIN MODULATING AGENTS Sirtris Pharmaceuticals, Inc. (US) 2008-04-16 EP disclosed
EP-1910385-A1 BENZOTHIAZOLES AND THIAZOLOPYRIDINES AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2008-04-16 EP disclosed
WO-2007019346-A1 BENZOTHIAZOLES AND THIAZOLOPYRIDINES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
WO-2007019345-A1 IMIDAZOPYRIDINE DERIVATIVES AS SIRTUIN MODULATING AGENTS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed