SCHEMBL22706337

SCHEMBL22706337

c1ccc(-c2c3cccc(-c4ccc(-c5cccc6c5Oc5ccccc5S6)cc4)c3cc3c(-c4ccc(-c5cccc6c5Oc5ccccc5S6)cc4)cccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.41
ATM Q13315 1/20 0.40
ADK P55263 1/20 0.35
GPR84 Q9NQS5 2/20 0.33

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
SCHEMBL8302432 0.85 ATM (0.50) PRKDCATMADK
SCHEMBL12489912 0.80 PRKDC (0.43) PRKDCATMADK
SCHEMBL12489648 0.79 PRKDC (0.43) PRKDCATMADK
SCHEMBL12489907 0.79 PRKDC (0.41) PRKDCATMADK
SCHEMBL22706138 0.78 GPR84 (0.31) PRKDCGPR84
SCHEMBL16786687 0.77 ATM (0.43) PRKDCATMADK
SCHEMBL16787348 0.77 ATM (0.43) PRKDCATMADK
SCHEMBL16787343 0.76 ATM (0.46) PRKDCATMADK
SCHEMBL16787189 0.76 ATM (0.42) PRKDCATMADK
SCHEMBL16787164 0.76 ATM (0.43) PRKDCATMADK

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
US-20200373496-A1 ORGANIC LIGHT EMITTING ELEMENT LG CHEM, LTD. (KR) 2020-11-26 US disclosed