SCHEMBL4401227

SCHEMBL4401227

Cc1ccc(C)c([S+]([O-])c2ccc(-c3ccc([S+]([O-])c4ccccc4)cc3)cc2)c1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 2/20 0.33
HPRT1 P00492 1/20 0.33
RCE1 Q9Y256 1/20 0.33
NTSR1 P30989 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL4403212 0.95 TDP1 (0.32) LMNAHTTALDH1A1MEN1KMT2A
SCHEMBL20198276 0.82 ACHE (0.42) RAB9ALMNASMN1; SMN2NPC1HPRT1
SCHEMBL28859415 0.78 TDP1 (0.34) RAB9ALMNAHTTSMN1; SMN2NPC1
SCHEMBL4403138 0.77 ESR2 (0.35)
SCHEMBL4405127 0.77 TSHR (0.33) LMNA
SCHEMBL7044543 0.76 TDP1 (0.42) LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL12283588 0.76 ACHE (0.48) RAB9ALMNAHTTSMN1; SMN2NPC1
SCHEMBL20198275 0.76 ACHE (0.48) RAB9ALMNAHTTSMN1; SMN2NPC1
SCHEMBL3289166 0.76 ACHE (0.48) RAB9ALMNAHTTSMN1; SMN2NPC1
SCHEMBL12336913 0.76 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173276-B2 Materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2012-05-08 US disclosed
US-8173276-B2 Materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2012-05-08 US disclosed
US-20100102305-A1 MATERIALS FOR ELECTROLUMINESCENCE AND THE UTILIZATION THEREOF MERCK PATENT GMBH (DE) 2010-04-29 US disclosed
US-20100102305-A1 MATERIALS FOR ELECTROLUMINESCENCE AND THE UTILIZATION THEREOF MERCK PATENT GMBH (DE) 2010-04-29 US disclosed
US-7659540-B2 Materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2010-02-09 US disclosed
US-7659540-B2 Materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2010-02-09 US disclosed
US-20070080343-A1 New materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2007-04-12 US disclosed
US-20070080343-A1 New materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2007-04-12 US disclosed