SCHEMBL20180319

SCHEMBL20180319

c1cc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3cccc4c3oc3ccccc34)n2)cc(-n2ncc3ccc4ccccc4c32)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.37
CA9 Q16790 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PRKDC P78527 5/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34
KDM4E B2RXH2 2/20 0.33
GGPS1 O95749 1/20 0.33
PIK3CA P42336 2/20 0.32
MTOR P42345 2/20 0.32
TP53 P04637 1/20 0.32
ATM Q13315 2/20 0.32
PLA2G10 O15496 1/20 0.32
PTGES2 Q9H7Z7 1/20 0.32
HPGD P15428 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
SCHEMBL20180272 0.89 ALOX5 (0.37) ALOX5CA9NPC1RAB9AALDH1A1
SCHEMBL20180135 0.88 ALOX5 (0.39) ALOX5CA9NPC1RAB9AALDH1A1
SCHEMBL20180156 0.86 ALOX5 (0.37) ALOX5CA9NPC1RAB9AALDH1A1
SCHEMBL22214638 0.81 ALOX5 (0.37) ALOX5CA9NPC1RAB9AALDH1A1
SCHEMBL24152199 0.79 ALOX5 (0.35) ALOX5ALDH1A1POLBSMN1; SMN2PRKDC
SCHEMBL24152782 0.78 ALOX5 (0.37) ALOX5ALDH1A1POLBSMN1; SMN2PRKDC
SCHEMBL22888916 0.78 ALOX5 (0.50) ALOX5CA9NPC1ALDH1A1POLB
SCHEMBL16185745 0.77 ALOX5 (0.42) ALOX5ALDH1A1POLBPRKDCPIK3CD
SCHEMBL26435005 0.77 ALOX5 (0.37) ALOX5PRKDCPIK3CDPIK3CBKDM4E
SCHEMBL23384903 0.76 ALOX5 (0.51) ALOX5NPC1RAB9AALDH1A1SMN1; SMN2

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