SCHEMBL20630447

SCHEMBL20630447

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.49
MAPT P10636 4/20 0.49
TDP1 Q9NUW8 3/20 0.49
MAPK1 P28482 2/20 0.49
APP P05067 2/20 0.48
PTGER1 P34995 1/20 0.45
MAOB P27338 4/20 0.43
RAB9A P51151 4/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
MAOA P21397 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HPD P32754 2/20 0.38
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
RXRG P48443 2/20 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
SCHEMBL20631379 0.91 MAPT (0.58) L3MBTL1MAPTTDP1MAPK1APP
SCHEMBL20630462 0.90 L3MBTL1 (0.50) L3MBTL1MAPTTDP1MAPK1APP
SCHEMBL20631620 0.83 L3MBTL1 (0.49) L3MBTL1MAPTTDP1MAPK1APP
SCHEMBL20630448 0.80 MAPT (0.59) L3MBTL1MAPTTDP1MAPK1APP
SCHEMBL20630953 0.78 MAPT (0.43) L3MBTL1MAPTTDP1MAPK1APP
SCHEMBL20610264 0.77 MEN1 (0.44) L3MBTL1MAPTTDP1MAPK1APP
SCHEMBL5674481 0.77 MAPT (0.76) L3MBTL1MAPTTDP1MAPK1APP
SCHEMBL20630443 0.76 CD274 (0.42) L3MBTL1MAPTTDP1MAPK1APP
SCHEMBL20631651 0.76 MAPT (0.54) L3MBTL1MAPTTDP1MAPK1APP
SCHEMBL20631396 0.72 MAPT (0.58) L3MBTL1MAPTTDP1MAPK1PTGER1

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