SCHEMBL20154265

SCHEMBL20154265

O=C(OCc1ccccc1)C(=O)c1cc(CSS)cc(CSS)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
ALDH1A1 P00352 6/20 0.42
LMNA P02545 4/20 0.42
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
HCAR2 Q8TDS4 1/20 0.39
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL23591218 0.83 KMT2A (0.58) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL23937565 0.79 KMT2A (0.60) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL2704297 0.78 TDP1 (0.66) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL20664990 0.78 TDP1 (0.60) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL23591196 0.76 KMT2A (0.50) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL21540381 0.72 LMNA (0.47) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL20022964 0.72 SLC6A2 (0.58) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL20022959 0.72 KMT2A (0.53) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL27144 0.72 ALDH1A1 (0.68) KMT2ATDP1SLC6A2SLC6A3ALDH1A1
SCHEMBL2706964 0.72 CES2 (0.58) KMT2ATDP1SLC6A2SLC6A3ALDH1A1

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-2018089648-A2 DI-SULFIDE CONTAINING CELL PENETRATING PEPTIDES AND METHODS OF MAKING AND USING THEREOF OHIO STATE INNOVATION FOUNDATION (US) 2018-05-17 WO disclosed