SCHEMBL17944009

SCHEMBL17944009

CC1(C)c2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)ccc2-c2ccc(-c3c4ccccc4cc4c3sc3ccccc34)cc21

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
MAPT P10636 1/20 0.35
ALOX5 P09917 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
ATM Q13315 1/20 0.33
ESR1 P03372 3/20 0.32
ESR2 Q92731 3/20 0.32
PTPN1 P18031 1/20 0.31
GPR84 Q9NQS5 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 1/20 0.30
ALK Q9UM73 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
SCHEMBL17944961 0.90 ALOX5 (0.36) MAPTALOX5L3MBTL1ATM
SCHEMBL17944453 0.90 ALOX5 (0.35) TNKSTNKS2MAPTALOX5L3MBTL1
SCHEMBL17945751 0.86 TNKS (0.36) TNKSTNKS2MAPTALOX5L3MBTL1
SCHEMBL17944918 0.86 ALOX5 (0.40) TNKSTNKS2MAPTALOX5L3MBTL1
SCHEMBL18266994 0.86 MAPT (0.33) MAPTALOX5L3MBTL1ATM
SCHEMBL17932032 0.85 TNKS (0.46) TNKSTNKS2MAPTALOX5L3MBTL1
SCHEMBL19077533 0.85 PTPN1 (0.30) MAPTALOX5PTPN1
SCHEMBL16162682 0.84 ALOX5 (0.37) TNKSTNKS2MAPTALOX5L3MBTL1
SCHEMBL17944400 0.84 F9 (0.34) MAPTALOX5L3MBTL1ESR1ESR2
SCHEMBL17944388 0.83 TNKS (0.42) TNKSTNKS2MAPTALOX5L3MBTL1

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