SCHEMBL20159781

SCHEMBL20159781

c1ccc(-n2c3ccc(-c4ccc5oc6cccc(-n7c8ccccc8c8ccccc87)c6c5c4)cc3c3c4ccccc4c4c5ccccc5sc4c32)cc1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL20159761 0.94 KDM4E (0.33) PRKDCKDM4EATML3MBTL1
SCHEMBL24464015 0.91 PRKDC (0.34) PRKDC
SCHEMBL20159791 0.90
SCHEMBL24464053 0.89 KDM4E (0.37) KDM4EATML3MBTL1
SCHEMBL20159803 0.89 PRKDC (0.33) PRKDCKDM4EATML3MBTL1
SCHEMBL20159757 0.87 PRKDC (0.31) PRKDC
SCHEMBL20159775 0.86 PRKDC (0.32) PRKDCKDM4EATML3MBTL1
SCHEMBL24464024 0.84 PLA2G2A (0.32) PRKDC
SCHEMBL18748693 0.84 ATM (0.37) KDM4EATML3MBTL1
SCHEMBL22023826 0.83

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-2018087022-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-05-17 WO disclosed