SCHEMBL22854576

SCHEMBL22854576

CCOC(=O)CNCc1cc(Br)cc(CNCC(=O)OCC)n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
MAPT P10636 2/20 0.48
SPR P35270 1/20 0.41
MEN1 O00255 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GPR35 Q9HC97 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
PPID Q08752 1/20 0.38
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37

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
SCHEMBL18674473 0.96 KMT2A (0.45) KMT2AALDH1A1HPGDMAPTSPR
SCHEMBL15189373 0.89 ALDH1A1 (0.43) KMT2AALDH1A1HPGDMAPTSPR
SCHEMBL22854578 0.82 ALDH1A1 (0.36) KMT2AALDH1A1HPGDMAPTSPR
SCHEMBL1814849 0.78 MAPT (0.51) KMT2AALDH1A1HPGDMAPTMEN1
SCHEMBL3509011 0.78 ALDH1A1 (0.45) KMT2AALDH1A1HPGDMAPTNPSR1
SCHEMBL15692215 0.75 KMT2A (0.61) KMT2AALDH1A1HPGDMAPTMEN1
SCHEMBL23703051 0.74 CYP1A2 (0.50) KMT2AALDH1A1HPGDMAPTCYP1A2
SCHEMBL1254241 0.72 HSD17B10 (0.43) KMT2AALDH1A1HPGDMAPTSPR
SCHEMBL30700389 0.72 ALDH1A1 (0.56) ALDH1A1HPGDMAPTL3MBTL1SMN1; SMN2
SCHEMBL75805 0.72 ALDH1A1 (0.56) ALDH1A1HPGDMAPTL3MBTL1SMN1; SMN2

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-2020260384-A1 NOVEL LUMINESCENT LANTHANIDE CHELATE REPORTERS, BIOSPECIFIC BINDING REACTANTS LABELLED WITH NOVEL LUMINESCENT LANTHANIDE CHELATE REPORTERS AND THEIR USE RADIOMETER TURKU OY (FI) 2020-12-30 WO disclosed