SCHEMBL17944802

SCHEMBL17944802

c1ccc2cc(-c3c4ccccc4c(-c4cc5c6ccccc6sc5c5ccccc45)c4ccccc34)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.43
MAPT P10636 1/20 0.39
TNKS O95271 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
GSTP1 P09211 1/20 0.37
S1PR5 Q9H228 6/20 0.36
S1PR4 O95977 5/20 0.36
GPR3 P46089 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ATM Q13315 1/20 0.36
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
PTPN1 P18031 1/20 0.34
PDE9A O76083 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL17943958 0.95 ALOX5 (0.42) ALOX5MAPTTNKSTNKS2GSTP1
SCHEMBL21388984 0.94 ALOX5 (0.41) ALOX5MAPTTNKSTNKS2GSTP1
SCHEMBL17944852 0.93 ALOX5 (0.42) ALOX5MAPTTNKSTNKS2GSTP1
SCHEMBL17944279 0.92 TNKS (0.41) ALOX5MAPTTNKSTNKS2S1PR5
SCHEMBL19077471 0.91 ALOX5 (0.43) ALOX5MAPTTNKSTNKS2GSTP1
SCHEMBL10122731 0.91 ALOX5 (0.46) ALOX5MAPTTNKSTNKS2GSTP1
SCHEMBL10122733 0.91 ALOX5 (0.43) ALOX5MAPTTNKSTNKS2GSTP1
SCHEMBL17944161 0.90 ALOX5 (0.48) ALOX5MAPTGSTP1S1PR5S1PR4
SCHEMBL19077454 0.90 ALOX5 (0.38) ALOX5MAPTTNKSTNKS2GSTP1
SCHEMBL19077474 0.89 ALOX5 (0.42) ALOX5MAPTTNKSTNKS2GSTP1

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