SCHEMBL17944201

SCHEMBL17944201

c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5cc6sc7ccccc7c6c6c5sc5ccccc56)cc4)c4ccccc34)cccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
CA12 O43570 4/20 0.37
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CA9 Q16790 4/20 0.37
PTPN1 P18031 3/20 0.36
F9 P00740 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
NQO1 P15559 1/20 0.32
NQO2 P16083 1/20 0.32
CHEK1 O14757 1/20 0.31
WEE1 P30291 1/20 0.31
MCL1 Q07820 1/20 0.31
ACMSD Q8TDX5 1/20 0.31
ENPP3 O14638 1/20 0.31
ENPP1 P22413 1/20 0.31
HSP90AA1 P07900 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
SCHEMBL19082274 0.93 CYP1A1 (0.36) ALOX5CA12CA1CA2CA9
SCHEMBL17944678 0.92 ALOX5 (0.39) ALOX5CA12CA1CA2CA9
SCHEMBL17945525 0.91 ALOX5 (0.38) ALOX5CA12CA1CA2CA9
SCHEMBL17945467 0.91 ALOX5 (0.37) ALOX5CA12CA1CA2CA9
SCHEMBL17945706 0.90 CA12 (0.40) ALOX5CA12CA1CA2CA9
SCHEMBL17945093 0.88 ALOX5 (0.35) ALOX5CA12CA1CA2CA9
SCHEMBL17944309 0.88 CA12 (0.39) ALOX5CA12CA1CA2CA9
SCHEMBL19077305 0.88 CA12 (0.37) ALOX5CA12CA1CA2CA9
SCHEMBL17945708 0.88 ALOX5 (0.41) ALOX5CA12CA1CA2CA9
SCHEMBL19077306 0.87 ALOX5 (0.36) ALOX5CA12CA1CA2CA9

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