SCHEMBL25945540

SCHEMBL25945540

O=C(OCCOCCCCCCC(c1ccccc1)C(CCc1ccccc1)c1ccccc1)c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.52
KMT2A Q03164 4/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
EPHX2 P34913 3/20 0.43
GPR52 Q9Y2T5 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TBXAS1 P24557 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL25951609 0.90 LMNA (0.57) LMNAKMT2ATDP1L3MBTL1MAPT
SCHEMBL25948396 0.87 KMT2A (0.61) LMNAKMT2ATDP1L3MBTL1MAPT
SCHEMBL25948348 0.84 LMNA (0.64) LMNAKMT2ATDP1L3MBTL1MAPT
SCHEMBL31110599 0.81 LMNA (0.56) LMNAKMT2ATDP1L3MBTL1MAPT
SCHEMBL31110603 0.81 LMNA (0.56) LMNAKMT2ATDP1L3MBTL1MAPT
SCHEMBL31110609 0.81 LMNA (0.56) LMNAKMT2ATDP1L3MBTL1MAPT
SCHEMBL31110612 0.81 LMNA (0.56) LMNAKMT2ATDP1L3MBTL1MAPT
SCHEMBL31110564 0.80 L3MBTL1 (0.54) LMNAKMT2ATDP1L3MBTL1MAPT
SCHEMBL25951612 0.80 LMNA (0.50) LMNAKMT2ATDP1L3MBTL1MAPT
SCHEMBL25951686 0.78 KMT2A (0.51) LMNAKMT2ATDP1L3MBTL1MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023147161-A2 NICOTINATE AND NICOTINAMIDE RIBOSIDE-BASED COMPOUNDS AND DERIVATIVES THEREOF New Frontier Bio, Inc. (US) 2023-08-03 WO disclosed