SCHEMBL21747469

SCHEMBL21747469

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.48
S1PR1 P21453 1/20 0.46
S1PR3 Q99500 1/20 0.46
HDAC6 Q9UBN7 2/20 0.44
CDK2 P24941 2/20 0.44
AURKA O14965 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
AURKB Q96GD4 1/20 0.44
AGPAT2 O15120 1/20 0.43
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
MAPT P10636 6/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
NPSR1 Q6W5P4 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HPGD P15428 2/20 0.42
LMNA P02545 3/20 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
SCHEMBL21747446 0.92 TP53 (0.49) HSD17B10S1PR1S1PR3HDAC6MAPT
SCHEMBL21747471 0.91 HDAC1 (0.50) HSD17B10S1PR1S1PR3HDAC6CDK2
SCHEMBL21747493 0.89 SIRT1 (0.51) HSD17B10S1PR1S1PR3HDAC6CDK2
SCHEMBL21747494 0.89 HSD17B10 (0.57) HSD17B10MAPTKDM4EALDH1A1NPSR1
SCHEMBL30468309 0.88 GPR119 (0.45) HSD17B10S1PR1S1PR3HDAC6CDK2
SCHEMBL21747477 0.87 SIRT1 (0.51) HSD17B10S1PR1S1PR3HDAC6KDM4E
SCHEMBL21747487 0.87 PDCD1 (0.47) HSD17B10S1PR1S1PR3HDAC6CDK2
SCHEMBL21747444 0.83 S1PR1 (0.50) S1PR1S1PR3HDAC6PDCD1CD274
SCHEMBL21747448 0.82 HSD17B10 (0.49) HSD17B10HDAC6MAPTKDM4ENPSR1
Hydrochloric Acid SCHEMBL21747452 0.82 HSD17B10 (0.49) HSD17B10HDAC6MAPTKDM4ENPSR1

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 2 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 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