SCHEMBL22136359

SCHEMBL22136359

c1ccc(-c2ccc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3ccc(-c4cccc5c4sc4ccccc45)cc3-c3ccccc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.48
PRKDC P78527 4/20 0.38
F9 P00740 1/20 0.35
PARP14 Q460N5 1/20 0.33
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
LIMK1 P53667 2/20 0.32
SLC9A1 P19634 1/20 0.30
PIK3CD O00329 1/20 0.30
BRD4 O60885 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
MTOR P42345 1/20 0.30
PIK3CG P48736 1/20 0.30
KCNH2 Q12809 1/20 0.30
BRDT Q58F21 1/20 0.30

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
SCHEMBL16883147 0.98 ALOX5 (0.45) ALOX5PRKDCF9PARP14TNKS
SCHEMBL16883099 0.93 ALOX5 (0.47) ALOX5PRKDCF9PARP14TNKS
SCHEMBL22435784 0.93 ALOX5 (0.52) ALOX5PRKDCF9PARP14TNKS
SCHEMBL16883109 0.92 ALOX5 (0.47) ALOX5PRKDCF9PARP14TNKS
SCHEMBL16883137 0.92 ALOX5 (0.48) ALOX5PRKDCF9PARP14TNKS
SCHEMBL22435781 0.92 ALOX5 (0.50) ALOX5PRKDCF9PARP14TNKS
SCHEMBL26336285 0.92 ALOX5 (0.42) ALOX5PRKDCF9PARP14TNKS
SCHEMBL22435772 0.91 ALOX5 (0.49) ALOX5PRKDCF9PARP14TNKS
SCHEMBL16883089 0.91 ALOX5 (0.51) ALOX5PRKDCF9PARP14TNKS
SCHEMBL16302960 0.91 ALOX5 (0.51) ALOX5PRKDCF9PARP14TNKS

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-2020130528-A1 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME 주식회사 엘지화학 2020-06-25 WO disclosed