SCHEMBL21747448

SCHEMBL21747448

CN1CCN(Cc2ccc3oc(-c4ccccc4NC(=O)c4ccc5ccccc5c4)nc3c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
BCHE P06276 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
HDAC6 Q9UBN7 2/20 0.46
TNIK Q9UKE5 2/20 0.46
MAPT P10636 3/20 0.45
RXFP1 Q9HBX9 1/20 0.45
HDAC1 Q13547 1/20 0.45
SUCNR1 Q9BXA5 2/20 0.45
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CHKA P35790 1/20 0.44
ABCB1 P08183 1/20 0.43

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
Hydrochloric Acid SCHEMBL21747452 0.99 HSD17B10 (0.49) HSD17B10TP53NPC1RAB9AKMT2A
SCHEMBL21747471 0.91 HDAC1 (0.50) HSD17B10HDAC6MAPTRXFP1HDAC1
SCHEMBL21747446 0.91 TP53 (0.49) HSD17B10TP53NPC1RAB9AKMT2A
SCHEMBL21747472 0.90 SIRT1 (0.49) HSD17B10TP53NPC1RAB9AKMT2A
SCHEMBL30468251 0.88 HDAC6 (0.47) HSD17B10TP53NPC1RAB9AKMT2A
SCHEMBL21747460 0.88 HDAC6 (0.47) HSD17B10TP53NPC1RAB9AKMT2A
SCHEMBL30468220 0.88 HSD17B10 (0.44) HSD17B10TP53NPC1RAB9AKMT2A
SCHEMBL21747443 0.85 HSD17B10 (0.58) HSD17B10TP53NPC1RAB9AKMT2A
SCHEMBL21747442 0.83 SIRT1 (0.52) HSD17B10HDAC6HDAC1LMNAABCB1
SCHEMBL21747469 0.82 HSD17B10 (0.48) HSD17B10NPC1RAB9ABCHEHDAC6

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