SCHEMBL16613688

SCHEMBL16613688

c1ccc(-n2ccc3c(-c4cccc5c4sc4ccccc45)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)nc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.35
ADK P55263 1/20 0.33
PRKDC P78527 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL16613295 0.92 ADK (0.37) ALOX5ADKPRKDCKDM4EATM
SCHEMBL15583017 0.87 ALOX5 (0.38) ALOX5PRKDCKDM4EATML3MBTL1
SCHEMBL16613583 0.86 KDM4E (0.36) KDM4EATML3MBTL1
SCHEMBL16613695 0.86 KDM4E (0.36) KDM4EATML3MBTL1
SCHEMBL16613585 0.85 KDM4E (0.37) KDM4EATML3MBTL1
SCHEMBL16613582 0.85 ADK (0.34) ADKPRKDC
SCHEMBL16613363 0.85 ADK (0.34) ADKPRKDC
SCHEMBL16613508 0.84 KDM4E (0.35) KDM4EATML3MBTL1
SCHEMBL16613723 0.83 ALOX5 (0.35) ALOX5PRKDCKDM4EATML3MBTL1
SCHEMBL16613518 0.83 KDM4E (0.40) KDM4EATML3MBTL1

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-2015047058-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-04-02 WO disclosed