SCHEMBL22435786

SCHEMBL22435786

c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccc(-c4cc(-c5ccccc5)ccc4-c4ccccc4)cc3-c3ccccc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.49
PRKDC P78527 3/20 0.36
PARP14 Q460N5 1/20 0.34
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
F9 P00740 1/20 0.33
LIMK1 P53667 3/20 0.32
MEN1 O00255 1/20 0.31
APAF1 O14727 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
XBP1 P17861 1/20 0.31
PTBP1 P26599 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
GALK1 P51570 1/20 0.31
BLM P54132 1/20 0.31
SMAD3 P84022 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
SCHEMBL22435785 1.00 ALOX5 (0.49) ALOX5PRKDCPARP14TNKSTNKS2
SCHEMBL22435776 0.99 ALOX5 (0.47) ALOX5PRKDCPARP14TNKSTNKS2
SCHEMBL22435784 0.96 ALOX5 (0.52) ALOX5PRKDCPARP14TNKSTNKS2
SCHEMBL22435781 0.95 ALOX5 (0.50) ALOX5PRKDCPARP14TNKSTNKS2
SCHEMBL25628767 0.94 ALOX5 (0.47) ALOX5PRKDCPARP14TNKSTNKS2
SCHEMBL25000617 0.94 ALOX5 (0.44) ALOX5PRKDCPARP14TNKSTNKS2
SCHEMBL22435772 0.94 ALOX5 (0.49) ALOX5PRKDCPARP14TNKSTNKS2
SCHEMBL22161044 0.93 ALOX5 (0.45) ALOX5PRKDCPARP14TNKSTNKS2
SCHEMBL22435773 0.93 ALOX5 (0.48) ALOX5PRKDCPARP14TNKSTNKS2
SCHEMBL21140991 0.92 ALOX5 (0.45) ALOX5PRKDCPARP14TNKSTNKS2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020185054-A9 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 (KR) 2020-11-26 WO disclosed
WO-2020185054-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2020-09-17 WO disclosed