SCHEMBL17809254

SCHEMBL17809254

c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cccc7c6sc6ccccc67)c5c43)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
ALOX5 P09917 1/20 0.33
MAPT P10636 5/20 0.32
L3MBTL1 Q9Y468 5/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPK1 P28482 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ATM Q13315 2/20 0.31
AGTR1 P30556 1/20 0.31
TSHR P16473 1/20 0.31
PRKDC P78527 1/20 0.30
ADORA2A P29274 2/20 0.30
ADORA1 P30542 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HTT P42858 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
SCHEMBL17809259 0.98 TNKS (0.34) TNKSTNKS2ALOX5MAPTL3MBTL1
SCHEMBL2603658 0.91 TNKS (0.35) TNKSTNKS2ALOX5MAPTL3MBTL1
SCHEMBL17427617 0.91 TNKS (0.35) TNKSTNKS2ALOX5MAPTL3MBTL1
SCHEMBL19961620 0.90 TNKS (0.34) TNKSTNKS2ALOX5MAPTL3MBTL1
SCHEMBL17809252 0.89 TNKS (0.35) TNKSTNKS2ALOX5MAPTL3MBTL1
SCHEMBL17809248 0.89 TNKS (0.34) TNKSTNKS2ALOX5MAPTALDH1A1
SCHEMBL15625596 0.89 TNKS (0.34) TNKSTNKS2ALOX5MAPTL3MBTL1
SCHEMBL18560813 0.88 TNKS (0.32) TNKSTNKS2ALOX5MAPTL3MBTL1
SCHEMBL17809242 0.87 KMT2A (0.35) TNKSTNKS2ALOX5MAPTL3MBTL1
SCHEMBL17809247 0.87 KMT2A (0.35) TNKSTNKS2ALOX5MAPTL3MBTL1

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-20160163995-A1 ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2016-06-09 US disclosed
US-20160163995-A1 ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2016-06-09 US disclosed