SCHEMBL21747455

SCHEMBL21747455

COc1cc(C(=O)Nc2ccccc2-c2nc3cc(CN4CCNCC4)ccc3o2)cc(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 2/20 0.58
HSD17B10 Q99714 5/20 0.57
NPSR1 Q6W5P4 1/20 0.57
MAPT P10636 8/20 0.54
TP53 P04637 4/20 0.54
THRB P10828 2/20 0.54
HPGD P15428 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HTT P42858 2/20 0.49
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPC1 O15118 1/20 0.49
USP2 O75604 1/20 0.49
RAB9A P51151 1/20 0.49
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
MCHR1 Q99705 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL21747443 0.91 HSD17B10 (0.58) SIRT1HSD17B10NPSR1MAPTTP53
SCHEMBL21747494 0.90 HSD17B10 (0.57) SIRT1HSD17B10NPSR1MAPTTP53
SCHEMBL21747493 0.88 SIRT1 (0.51) SIRT1HSD17B10NPSR1MAPTHPGD
SCHEMBL21747456 0.87 HSD17B10 (0.54) SIRT1HSD17B10NPSR1MAPTTP53
SCHEMBL30468278 0.87 HSD17B10 (0.53) SIRT1HSD17B10NPSR1MAPTTP53
SCHEMBL21747472 0.85 SIRT1 (0.49) SIRT1HSD17B10NPSR1MAPTTP53
SCHEMBL21747479 0.84 SIRT1 (0.57) SIRT1HSD17B10NPSR1MAPTHPGD
Hydrochloric Acid SCHEMBL21747450 0.83 SIRT1 (0.57) SIRT1HSD17B10NPSR1MAPTHPGD
SCHEMBL30468245 0.80 SIRT1 (0.64) SIRT1HSD17B10NPC1RAB9A
SCHEMBL2740314 0.80 SIRT1 (0.60) SIRT1MAPTTP53HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3613735-A1 NOVEL SIRT 1 ACTIVATOR AND MEDICINAL USE THEREOF Pusan National University Industry - University Cooperation Foundation (KR) 2020-02-26 EP claimed
EP-3613735-B1 NOVEL SIRT 1 ACTIVATOR AND MEDICINAL USE THEREOF NAT UNIV PUSAN IND UNIV COOP FOUND (KR) 2023-04-12 EP disclosed
EP-3613735-A1 NOVEL SIRT 1 ACTIVATOR AND MEDICINAL USE THEREOF Pusan National University Industry - University Cooperation Foundation (KR) 2020-02-26 EP disclosed