SCHEMBL20180135

SCHEMBL20180135

c1cc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3cccc4c3oc3ccccc34)n2)cc(-n2ncc3ccccc32)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.39
LRRK2 Q5S007 1/20 0.36
PRKDC P78527 5/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
GGPS1 O95749 1/20 0.34
CA9 Q16790 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
ATM Q13315 2/20 0.33
NR3C1 P04150 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
TP53 P04637 1/20 0.33
PTGES2 Q9H7Z7 1/20 0.32
PGR P06401 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL20180156 0.92 ALOX5 (0.37) ALOX5PRKDCPIK3CDPIK3CBGGPS1
SCHEMBL20180272 0.89 ALOX5 (0.37) ALOX5PRKDCPIK3CDPIK3CBGGPS1
SCHEMBL20180319 0.88 ALOX5 (0.37) ALOX5PRKDCPIK3CDPIK3CBGGPS1
SCHEMBL16185745 0.83 ALOX5 (0.42) ALOX5PRKDCPIK3CDPIK3CBGGPS1
SCHEMBL18905026 0.81 ALOX5 (0.41) ALOX5PRKDCPIK3CDPIK3CBGGPS1
SCHEMBL24153068 0.80 ALOX5 (0.42) ALOX5PRKDCPIK3CDPIK3CBGGPS1
SCHEMBL16811386 0.80 ALOX5 (0.39) ALOX5PRKDCPIK3CDPIK3CBGGPS1
SCHEMBL20180198 0.80 KDM4E (0.44) ALOX5PRKDCPIK3CDPIK3CBGGPS1
SCHEMBL30021292 0.80 ALOX5 (0.39) ALOX5PRKDCPIK3CDPIK3CBGGPS1
SCHEMBL24154130 0.80 ALOX5 (0.39) 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