SCHEMBL20180272

SCHEMBL20180272

c1cc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3cccc4c3oc3ccccc34)n2)cc(-n2ncc3c4ccccc4ccc32)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.37
CA9 Q16790 1/20 0.34
PRKDC P78527 5/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CB P42338 1/20 0.33
GGPS1 O95749 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
PIK3CA P42336 2/20 0.32
MTOR P42345 2/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP17A1 P05093 1/20 0.32
CYP1A2 P05177 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 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
SCHEMBL20180319 0.89 ALOX5 (0.37) ALOX5CA9PRKDCPIK3CDPIK3CB
SCHEMBL20180135 0.89 ALOX5 (0.39) ALOX5CA9PRKDCPIK3CDPIK3CB
SCHEMBL20180156 0.87 ALOX5 (0.37) ALOX5CA9PRKDCPIK3CDPIK3CB
SCHEMBL24152782 0.81 ALOX5 (0.37) ALOX5PRKDCPIK3CDPIK3CBGGPS1
SCHEMBL16185745 0.79 ALOX5 (0.42) ALOX5PRKDCPIK3CDPIK3CBGGPS1
SCHEMBL24151778 0.78 ALOX5 (0.35) ALOX5PRKDCPIK3CDPIK3CBGGPS1
SCHEMBL26435005 0.78 ALOX5 (0.37) ALOX5PRKDCPIK3CDPIK3CBGGPS1
SCHEMBL22214587 0.78 PTGER1 (0.36) ALOX5PRKDCPIK3CDPIK3CBGGPS1
SCHEMBL26047583 0.77 ALOX5 (0.48) ALOX5PRKDCPIK3CDPIK3CBGGPS1
SCHEMBL23821676 0.77 ALOX5 (0.46) ALOX5PRKDCPIK3CDPIK3CBGGPS1

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-2018093107-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 2018-05-24 WO disclosed