SCHEMBL21747463

SCHEMBL21747463

O=C(O)N1CCN(Cc2ccc3oc(-c4ccccc4[N+](=O)[O-])nc3c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.47
S1PR3 Q99500 1/20 0.47
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
ALDH1A1 P00352 3/20 0.46
PKM P14618 1/20 0.46
MAPT P10636 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
F2 P00734 1/20 0.44
C1R P00736 1/20 0.44
BLM P54132 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.42
CTDSP1 Q9GZU7 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
SCHEMBL21747473 0.87 NPC1 (0.44) S1PR1S1PR3PDCD1CD274MAPT
SCHEMBL30468237 0.87 GPR119 (0.47) S1PR1S1PR3LMNAHTTPDCD1
SCHEMBL21747444 0.84 S1PR1 (0.50) S1PR1S1PR3PDCD1CD274L3MBTL1
SCHEMBL21747468 0.83 PDCD1 (0.47) S1PR1S1PR3PDCD1CD274ALDH1A1
SCHEMBL21747451 0.81 ALDH1A1 (0.49) S1PR1S1PR3LMNAHTTALDH1A1
SCHEMBL21747469 0.80 HSD17B10 (0.48) S1PR1S1PR3LMNAHTTPDCD1
SCHEMBL21747490 0.79 MAPT (0.52) PDCD1CD274ALDH1A1MAPTMEN1
SCHEMBL21747446 0.76 TP53 (0.49) S1PR1S1PR3LMNAHTTALDH1A1
SCHEMBL6822046 0.75 NPC1 (0.58) ALDH1A1PKMMAPTMEN1KMT2A
SCHEMBL21747464 0.75 MAPT (0.55) ALDH1A1MAPTMEN1KMT2AF2

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