SCHEMBL20610264

SCHEMBL20610264

Cc1c(O)cccc1-c1cccc(OCc2ccc(CNCC3CC3)cc2)c1C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CD274 Q9NZQ7 7/20 0.40
LMNA P02545 2/20 0.39
RAB9A P51151 1/20 0.39
PTGER1 P34995 1/20 0.39
CXCR4 P61073 3/20 0.38
PDCD1 Q15116 1/20 0.38
APP P05067 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
MAOB P27338 1/20 0.37
HDAC1 Q13547 1/20 0.35

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
SCHEMBL20630953 0.82 MAPT (0.43) MEN1KMT2AMAPTL3MBTL1MAPK1
SCHEMBL20630443 0.81 CD274 (0.42) MEN1KMT2AMAPTL3MBTL1MAPK1
SCHEMBL20630928 0.80 MAPT (0.39) MAPTL3MBTL1MAPK1TDP1CD274
SCHEMBL20631398 0.79 TP53 (0.49) MEN1KMT2AMAPTL3MBTL1MAPK1
SCHEMBL20630917 0.79 SCN8A (0.43) MAPTL3MBTL1MAPK1TDP1CD274
SCHEMBL20630462 0.79 L3MBTL1 (0.50) MAPTL3MBTL1MAPK1TDP1CD274
SCHEMBL20630447 0.77 L3MBTL1 (0.49) KMT2AMAPTL3MBTL1MAPK1TDP1
SCHEMBL20631620 0.75 L3MBTL1 (0.49) MAPTL3MBTL1MAPK1TDP1LMNA
SCHEMBL20631629 0.74 SMN1; SMN2 (0.57) MEN1KMT2AMAPTL3MBTL1MAPK1
SCHEMBL20631530 0.74 MAPT (0.47) MEN1KMT2AMAPTL3MBTL1MAPK1

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-2019008156-A1 INHIBITORS OF THE PD-1/PD-L1 PROTEIN/PROTEIN INTERACTION RIJKSUNIVERSITEIT GRONINGEN (NL) 2019-01-10 WO disclosed