SCHEMBL17945142

SCHEMBL17945142

CC1(C)c2ccccc2-c2cc3sc4ccccc4c3c(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.37
WEE1 P30291 1/20 0.37
F9 P00740 1/20 0.34
ALOX5 P09917 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
DUSP3 P51452 1/20 0.32
BLM P54132 1/20 0.32
PTPN5 P54829 1/20 0.32
KMT2A Q03164 1/20 0.32
PTPN11 Q06124 1/20 0.32
MCL1 Q07820 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
SLC9A1 P19634 2/20 0.32
HSP90AA1 P07900 1/20 0.32
PTPN1 P18031 2/20 0.30
GPR3 P46089 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
SCHEMBL17945760 0.92 CHEK1 (0.38) CHEK1WEE1F9ALOX5MEN1
SCHEMBL17944361 0.90 S1PR5 (0.34)
SCHEMBL19081189 0.85 F9 (0.36) CHEK1WEE1F9ALOX5SLC9A1
SCHEMBL19081188 0.84 CHEK1 (0.34) CHEK1WEE1F9MEN1POLB
SCHEMBL17945144 0.84 F9 (0.36) F9ALOX5MAPTDUSP3L3MBTL1
SCHEMBL17945364 0.83 ALOX5 (0.40) F9ALOX5MAPTL3MBTL1SLC9A1
SCHEMBL25741324 0.82 F9 (0.38) CHEK1WEE1F9SLC9A1
SCHEMBL17945149 0.82 S1PR5 (0.33) CHEK1WEE1MAPT
SCHEMBL19076986 0.81 CHEK1 (0.35) CHEK1WEE1F9
SCHEMBL19081203 0.80 NQO1 (0.32)

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