SCHEMBL21747460

SCHEMBL21747460

O=C(Nc1ccccc1-c1nc2cc(CN3CCN(C4CCCCC4)CC3)ccc2o1)c1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.47
HSD17B10 Q99714 1/20 0.46
ACKR3 P25106 1/20 0.45
CCR3 P51677 1/20 0.45
TP53 P04637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
BCHE P06276 1/20 0.44
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 3/20 0.42
RXFP1 Q9HBX9 1/20 0.42
DRD4 P21917 4/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
SLC6A12 P48065 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
SCHEMBL30468251 1.00 HDAC6 (0.47) HDAC6HSD17B10ACKR3CCR3TP53
SCHEMBL21747487 0.92 PDCD1 (0.47) HDAC6HSD17B10ACKR3NPC1RAB9A
SCHEMBL21747448 0.88 HSD17B10 (0.49) HDAC6HSD17B10TP53NPC1RAB9A
SCHEMBL21747446 0.87 TP53 (0.49) HDAC6HSD17B10TP53NPC1RAB9A
Hydrochloric Acid SCHEMBL21747452 0.87 HSD17B10 (0.49) HDAC6HSD17B10TP53NPC1RAB9A
SCHEMBL21747472 0.86 SIRT1 (0.49) HDAC6HSD17B10TP53NPC1RAB9A
SCHEMBL21747456 0.86 HSD17B10 (0.54) HSD17B10TP53NPC1RAB9AKMT2A
SCHEMBL21747481 0.85 SIRT1 (0.49) HDAC6HSD17B10ACKR3NPC1RAB9A
SCHEMBL30468220 0.82 HSD17B10 (0.44) HDAC6HSD17B10TP53NPC1RAB9A
SCHEMBL21747471 0.79 HDAC1 (0.50) HDAC6HSD17B10PDCD1CD274MAPT

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-3613735-B1 NOVEL SIRT 1 ACTIVATOR AND MEDICINAL USE THEREOF NAT UNIV PUSAN IND UNIV COOP FOUND (KR) 2023-04-12 EP claimed
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