SCHEMBL25948396

SCHEMBL25948396

O=C(OCCOCCCCCCc1ccccc1)c1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.61
LMNA P02545 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.56
EPHX2 P34913 1/20 0.53
MAPT P10636 2/20 0.52
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TBXAS1 P24557 5/20 0.49

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
SCHEMBL25948348 0.95 LMNA (0.64) KMT2ALMNATDP1L3MBTL1EPHX2
SCHEMBL25945540 0.87 LMNA (0.52) KMT2ALMNATDP1L3MBTL1EPHX2
SCHEMBL25951686 0.86 KMT2A (0.51) KMT2ALMNATDP1L3MBTL1EPHX2
SCHEMBL25330923 0.86 LMNA (0.65) KMT2ALMNATDP1L3MBTL1MAPT
SCHEMBL25331020 0.86 LMNA (0.65) KMT2ALMNATDP1L3MBTL1MAPT
SCHEMBL14219781 0.85 LMNA (0.73) KMT2ALMNATDP1L3MBTL1EPHX2
SCHEMBL25951682 0.85 LMNA (0.85) KMT2ALMNATDP1L3MBTL1MAPT
SCHEMBL25329463 0.84 LMNA (0.57) KMT2ALMNATDP1L3MBTL1MAPT
SCHEMBL25328756 0.84 LMNA (0.57) KMT2ALMNATDP1L3MBTL1MAPT
SCHEMBL31110609 0.83 LMNA (0.56) KMT2ALMNATDP1L3MBTL1MAPT

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