SCHEMBL17945238

SCHEMBL17945238

c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5ccc6sc7c(ccc8c9ccccc9sc87)c6c5)cc4)c4ccccc34)cccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.45
CA12 O43570 4/20 0.36
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA9 Q16790 4/20 0.36
PRKDC P78527 2/20 0.35
PARP14 Q460N5 1/20 0.34
LIMK1 P53667 1/20 0.34
F9 P00740 2/20 0.34
PIM3 Q86V86 1/20 0.34
MAPT P10636 2/20 0.33
PTPN1 P18031 1/20 0.33
GPR3 P46089 1/20 0.33
CYP1A1 P04798 2/20 0.32
CYP1B1 Q16678 2/20 0.32
CYP1A2 P05177 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL19109285 0.97 ALOX5 (0.45) ALOX5CA12CA1CA2CA9
SCHEMBL17945667 0.95 ALOX5 (0.47) ALOX5CA12CA1CA2CA9
SCHEMBL17945524 0.94 ALOX5 (0.44) ALOX5CA12CA1CA2CA9
SCHEMBL17945521 0.94 ALOX5 (0.46) ALOX5CA12CA1CA2CA9
SCHEMBL19109282 0.93 ALOX5 (0.41) ALOX5CA12CA1CA2CA9
SCHEMBL19082268 0.93 CYP1A1 (0.39) ALOX5CA12CA1CA2CA9
SCHEMBL17945731 0.93 ALOX5 (0.43) ALOX5CA12CA1CA2CA9
SCHEMBL17932024 0.92 CYP1A1 (0.40) ALOX5CA12CA1CA2CA9
SCHEMBL19109117 0.92 ALOX5 (0.47) ALOX5CA12CA1CA2CA9
SCHEMBL17320735 0.92 GPR3 (0.40) 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