SCHEMBL16856497

SCHEMBL16856497

CC1C=Cc2[nH]c3ccc4c(ccc5sc6ccccc6c54)c3c2C1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
DUSP3 P51452 1/20 0.32
BLM P54132 1/20 0.32
PTPN5 P54829 1/20 0.32
PTPN11 Q06124 1/20 0.32
MCL1 Q07820 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TNKS O95271 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HCRTR1 O43613 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL16856054 0.80 MEN1 (0.33) MEN1KMT2APOLBMAPTDUSP3
SCHEMBL12900556 0.79 TYMS (0.35) MEN1KMT2APOLBMAPTKDM4E
SCHEMBL15089401 0.72 MEN1 (0.49) MEN1KMT2APOLBMAPTKDM4E
SCHEMBL16856607 0.70 ALOX5 (0.45) MEN1KMT2AMAPTTNKSTNKS2
SCHEMBL16856127 0.70 TNKS (0.51) MEN1KMT2APOLBMAPTDUSP3
SCHEMBL15506307 0.68 MAP3K9 (0.32) MEN1KMT2AMAPTTNKSTNKS2
SCHEMBL16985163 0.68 GPR3 (0.62) MEN1KMT2APOLBMAPTDUSP3
SCHEMBL16919516 0.67 GPR3 (0.50) MEN1KMT2APOLBMAPTDUSP3
SCHEMBL21416411 0.67 GPR3 (0.38) ALDH1A1
SCHEMBL18568705 0.66 MAP3K9 (0.41) MEN1KMT2AMAPTTNKSTNKS2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015093814-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-06-25 WO disclosed