SCHEMBL21747487

SCHEMBL21747487

O=C(Nc1ccccc1-c1nc2cc(CN3CCN(C4CCCCC4)CC3)ccc2o1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 2/20 0.47
CD274 Q9NZQ7 2/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
ALOX12 P18054 1/20 0.47
HDAC6 Q9UBN7 1/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
S1PR1 P21453 1/20 0.45
S1PR3 Q99500 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ALK Q9UM73 7/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
AURKA O14965 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
CDK2 P24941 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
SCHEMBL21747460 0.92 HDAC6 (0.47) PDCD1CD274KDM4EALDH1A1MAPT
SCHEMBL30468251 0.92 HDAC6 (0.47) PDCD1CD274KDM4EALDH1A1MAPT
SCHEMBL21747456 0.89 HSD17B10 (0.54) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL21747481 0.87 SIRT1 (0.49) PDCD1CD274KDM4EALDH1A1MAPT
SCHEMBL21747471 0.87 HDAC1 (0.50) PDCD1CD274KDM4EALDH1A1MAPT
SCHEMBL21747469 0.87 HSD17B10 (0.48) PDCD1CD274KDM4EALDH1A1MAPT
SCHEMBL21747493 0.85 SIRT1 (0.51) PDCD1CD274KDM4EALDH1A1MAPT
SCHEMBL30468309 0.81 GPR119 (0.45) PDCD1CD274KDM4EALDH1A1MAPT
SCHEMBL21747491 0.80 NPC1 (0.49) PDCD1CD274KDM4EALDH1A1TSHR
SCHEMBL21747446 0.80 TP53 (0.49) KDM4EALDH1A1MAPTTSHRHDAC6

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