SCHEMBL17944342

SCHEMBL17944342

c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5sc6cc7ccccc7cc6c5c4)c4ccccc34)c3ccccc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.38
ESR2 Q92731 4/20 0.38
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 2/20 0.33
CHEK1 O14757 1/20 0.33
WEE1 P30291 1/20 0.33
F9 P00740 1/20 0.33
PIM3 Q86V86 1/20 0.33
MPI P34949 1/20 0.33
GPR84 Q9NQS5 2/20 0.33
ALOX5 P09917 1/20 0.33
GPR3 P46089 1/20 0.32
PTPN7 P35236 1/20 0.32
DUSP3 P51452 1/20 0.32
PTPN12 Q05209 1/20 0.32
PTPN22 Q9Y2R2 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
SCHEMBL17932048 0.94 ESR1 (0.41) ESR1ESR2ALDH1A1MAPTHPGD
SCHEMBL19082177 0.93 CHEK1 (0.36) ESR1ESR2ALDH1A1MAPTKDM4E
SCHEMBL19109196 0.93 GPR3 (0.38) ESR1ESR2ALDH1A1MAPTKDM4E
SCHEMBL19082315 0.93 ESR1 (0.40) ESR1ESR2CHEK1WEE1PIM3
SCHEMBL19109190 0.93 GPR3 (0.38) ESR1ESR2ALDH1A1MAPTKDM4E
SCHEMBL17944754 0.92 ESR1 (0.38) ESR1ESR2ALDH1A1MAPTKDM4E
SCHEMBL17247063 0.92 ESR1 (0.38) ESR1ESR2ALDH1A1MAPTKDM4E
SCHEMBL26750802 0.90 ALDH1A1 (0.38) ESR1ESR2ALDH1A1MAPTKDM4E
SCHEMBL17246871 0.90 ESR1 (0.46) ESR1ESR2ALDH1A1MAPTHPGD
SCHEMBL23427957 0.89 ALDH1A1 (0.39) ALDH1A1MAPTHPGDCHEK1WEE1

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