SCHEMBL13896000

SCHEMBL13896000

COC(=O)c1ccccc1Nc1csc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
ALOX15 P16050 2/20 0.55
PKM P14618 1/20 0.54
KDM4E B2RXH2 5/20 0.51
POLB P06746 1/20 0.51
ATM Q13315 1/20 0.51
KMT2A Q03164 2/20 0.48
TSHR P16473 2/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
CDC25B P30305 4/20 0.46
GAA P10253 6/20 0.46
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 2/20 0.46
CDC25A P30304 1/20 0.46
CDC25C P30307 1/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
GLA P06280 1/20 0.46
PTGS2 P35354 1/20 0.45

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
SCHEMBL19065779 0.81 MAPT (0.79) MAPTALOX15KDM4EPOLBATM
SCHEMBL71339 0.80 HDAC3 (0.62) MAPTALOX15PKMKDM4EPOLB
Hydrochloric Acid SCHEMBL30701688 0.79 HDAC3 (0.60) MAPTALOX15PKMKDM4EPOLB
SCHEMBL6482190 0.78 PKM (0.58) MAPTPKMRAB9ANPC1GAA
SCHEMBL17367245 0.77 SLC6A3 (0.48) MAPTALOX15PKMKDM4EPOLB
SCHEMBL7034926 0.75 MAPT (0.74) MAPTALOX15KDM4EPOLBATM
SCHEMBL4068766 0.74 HSD17B10 (0.51) MAPTALOX15PKMKDM4EPOLB
SCHEMBL15472198 0.73 PKM (0.51) MAPTPKMKMT2ARAB9ANPC1
SCHEMBL8128228 0.73 KDM4E (0.68) MAPTALOX15KDM4EPOLBATM
SCHEMBL17145917 0.73 MAPT (0.67) MAPTALOX15KDM4EPOLBATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9620722-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2017-04-11 US disclosed
US-9620722-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2017-04-11 US disclosed
US-20140042370-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2014-02-13 US disclosed
US-20140042370-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2014-02-13 US disclosed
CN-103492383-A Materials for organic electroluminescent devices MERCK PATENT GMBH 2014-01-01 CN disclosed
WO-2012143080-A2 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-10-26 WO disclosed