SCHEMBL17945708

SCHEMBL17945708

c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5cc6c7ccccc7sc6c6c5sc5ccccc56)cc4)c4ccccc34)cccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
PTPN1 P18031 2/20 0.36
MAPT P10636 1/20 0.35
CA12 O43570 3/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
F9 P00740 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PRKDC P78527 1/20 0.32
GPR3 P46089 1/20 0.32
PARP14 Q460N5 1/20 0.32
NQO1 P15559 1/20 0.32
NQO2 P16083 1/20 0.32
MCL1 Q07820 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
SCHEMBL19082246 0.93 ALOX5 (0.38) ALOX5PTPN1MAPTCA12CA1
SCHEMBL17945100 0.92 ALOX5 (0.41) ALOX5PTPN1MAPTTNKSTNKS2
SCHEMBL19109278 0.92 ALOX5 (0.41) ALOX5PTPN1MAPTCA12CA1
SCHEMBL17945265 0.91 ALOX5 (0.40) ALOX5PTPN1MAPTTNKSTNKS2
SCHEMBL17944183 0.91 ALOX5 (0.40) ALOX5PTPN1MAPTTNKSTNKS2
SCHEMBL17945247 0.90 ALOX5 (0.41) ALOX5PTPN1MAPTCA12CA1
SCHEMBL17945541 0.88 ALOX5 (0.38) ALOX5PTPN1MAPTCA12CA1
SCHEMBL17932033 0.88 ALOX5 (0.47) ALOX5PTPN1MAPTCA12CA1
SCHEMBL17944201 0.88 ALOX5 (0.39) ALOX5PTPN1CA12CA1CA2
SCHEMBL17932232 0.87 TNKS (0.43) ALOX5PTPN1MAPTTNKSTNKS2

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-20160218297-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-28 US disclosed
US-20160218297-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-28 US disclosed