SCHEMBL21747472

SCHEMBL21747472

O=C(Nc1ccccc1-c1nc2cc(CN3CCNCC3)ccc2o1)c1ccc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 6/20 0.49
HSD17B10 Q99714 1/20 0.49
TP53 P04637 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
HDAC6 Q9UBN7 2/20 0.46
MAPT P10636 4/20 0.45
RXFP1 Q9HBX9 1/20 0.45
HDAC1 Q13547 1/20 0.45
BCHE P06276 1/20 0.45
HDAC3 O15379 1/20 0.43
HDAC2 Q92769 1/20 0.43
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
ADRB2 P07550 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL21747493 0.91 SIRT1 (0.51) SIRT1HSD17B10HDAC6MAPTRXFP1
SCHEMBL21747448 0.90 HSD17B10 (0.49) HSD17B10TP53NPC1RAB9AKMT2A
SCHEMBL21747446 0.89 TP53 (0.49) HSD17B10TP53NPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL21747452 0.89 HSD17B10 (0.49) HSD17B10TP53NPC1RAB9AKMT2A
SCHEMBL21747460 0.86 HDAC6 (0.47) SIRT1HSD17B10TP53NPC1RAB9A
SCHEMBL30468251 0.86 HDAC6 (0.47) SIRT1HSD17B10TP53NPC1RAB9A
SCHEMBL21747455 0.85 SIRT1 (0.58) SIRT1HSD17B10TP53NPC1RAB9A
SCHEMBL30468220 0.84 HSD17B10 (0.44) HSD17B10TP53NPC1RAB9AKMT2A
SCHEMBL30468245 0.83 SIRT1 (0.64) SIRT1HSD17B10NPC1RAB9AHDAC6
Hydrochloric Acid SCHEMBL20541678 0.83 NPC1 (0.49) SIRT1NPC1RAB9AKMT2AHDAC1

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