SCHEMBL20610263

SCHEMBL20610263

Cc1ccccc1C1=CC=CC(O)(OCc2ccncc2)C1C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.32
NAMPT P43490 1/20 0.31
MAPK1 P28482 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
MAPK14 Q16539 1/20 0.31
ATM Q13315 1/20 0.30

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
SCHEMBL31336451 0.70 PDK2 (0.31)
SCHEMBL28703494 0.64
SCHEMBL28360296 0.63
SCHEMBL29357157 0.60 CA1 (0.32) ATM
SCHEMBL1903369 0.56 NOTUM (0.50) MAPK1MAPK14
Iodide SCHEMBL28741644 0.55 NOTUM (0.48) MAPK1MAPK14
Hydrochloric Acid SCHEMBL29948123 0.55 NOTUM (0.48) MAPK1MAPK14
SCHEMBL4757678 0.54 KMT2A (0.35) MAPK1
SCHEMBL21742559 0.53 NOTUM (0.52) MAPK14
SCHEMBL21742498 0.53 MAPK14 (0.46) MAPK1MAPK14

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