SCHEMBL17809259

SCHEMBL17809259

c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7cccc8c7sc7ccccc78)c6c54)n3)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
ALOX5 P09917 1/20 0.34
MAPT P10636 3/20 0.31
MAPK1 P28482 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
HTT P42858 1/20 0.31
PRKDC P78527 1/20 0.31
DHODH Q02127 1/20 0.30
LIMK1 P53667 2/20 0.30
KDM4E B2RXH2 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
SCHEMBL17809254 0.98 TNKS (0.35) TNKSTNKS2ALOX5MAPTMAPK1
SCHEMBL15625596 0.91 TNKS (0.34) TNKSTNKS2ALOX5MAPTMAPK1
SCHEMBL17809256 0.89 TNKS (0.33) TNKSTNKS2ALOX5PRKDC
SCHEMBL17427617 0.89 TNKS (0.35) TNKSTNKS2ALOX5MAPTMAPK1
SCHEMBL2603658 0.89 TNKS (0.35) TNKSTNKS2ALOX5MAPTMAPK1
SCHEMBL17809250 0.89 MEN1 (0.34) TNKSTNKS2ALOX5MAPTNPSR1
SCHEMBL17809244 0.88 TNKS (0.33) TNKSTNKS2ALOX5MAPTMAPK1
SCHEMBL17809260 0.88 TNKS (0.33) TNKSTNKS2ALOX5MAPTPRKDC
SCHEMBL18560813 0.88 TNKS (0.32) TNKSTNKS2ALOX5MAPTMAPK1
SCHEMBL19961620 0.88 TNKS (0.34) TNKSTNKS2ALOX5MAPTMAPK1

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