SCHEMBL15470321

SCHEMBL15470321

c1ccc(-c2ccc3c(c2)Sc2cc(-c4cccc5ccccc45)ccc2N3c2ccc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.45
PRKDC P78527 4/20 0.38
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
PDE6D O43924 1/20 0.35
F9 P00740 1/20 0.35
MCL1 Q07820 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
S1PR4 O95977 3/20 0.32
S1PR5 Q9H228 3/20 0.32
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
PARP14 Q460N5 1/20 0.31
ALK Q9UM73 1/20 0.31
TNKS O95271 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
SLC9A1 P19634 1/20 0.30
PIK3CD O00329 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
SCHEMBL15470312 0.94 ALOX5 (0.47) ALOX5PRKDCPDE6DF9PARP14
SCHEMBL15470313 0.91 ALOX5 (0.44) ALOX5PRKDCPDE6DF9PARP14
SCHEMBL15470209 0.90 PDE6D (0.36) ALOX5PRKDCCA12CA1CA2
SCHEMBL15470314 0.88 ALOX5 (0.42) ALOX5PRKDCPDE6DF9PARP14
SCHEMBL15470414 0.87 ALOX5 (0.37) ALOX5PRKDCPDE6D
SCHEMBL15470280 0.87 ALOX5 (0.44) ALOX5PRKDCCA12CA1CA2
SCHEMBL15470347 0.87 ALOX5 (0.44) ALOX5PRKDCCA12CA1CA2
SCHEMBL15470413 0.86 ALOX5 (0.36) ALOX5PRKDCPDE6D
SCHEMBL17206580 0.85 PDE6D (0.43) CA12CA1CA2CA9PDE6D
SCHEMBL21915417 0.83 ALOX5 (0.37) ALOX5PRKDC

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
US-20140042412-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME AND DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT-EMITTING DIODE CHEIL INDUSTRIES, INC. (KR) 2014-02-13 US disclosed
US-20140042412-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME AND DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT-EMITTING DIODE CHEIL INDUSTRIES, INC. (KR) 2014-02-13 US disclosed