SCHEMBL4401131

SCHEMBL4401131

Cc1ccc([S+]([O-])c2ccc([S+]([O-])c3ccc(C)cc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.50
TDP1 Q9NUW8 1/20 0.50
GAA P10253 1/20 0.39
ALDH1A1 P00352 4/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
HSD17B10 Q99714 1/20 0.36
CA12 O43570 1/20 0.36
CA3 P07451 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
TSHR P16473 3/20 0.35
LMNA P02545 2/20 0.35
ALOX12 P18054 1/20 0.35
TLR9 Q9NR96 1/20 0.35
IDO1 P14902 1/20 0.33
CES2 O00748 1/20 0.33

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
SCHEMBL235851 1.00 ACHE (0.50) ACHETDP1GAAALDH1A1CA1
SCHEMBL3289160 0.92 ACHE (0.42) ACHETDP1GAAALDH1A1CA1
SCHEMBL4401181 0.92 ACHE (0.42) ACHETDP1GAAALDH1A1CA1
SCHEMBL20198275 0.89 ACHE (0.48) ACHETDP1GAAALDH1A1CA1
SCHEMBL3289166 0.89 ACHE (0.48) ACHETDP1GAAALDH1A1CA1
SCHEMBL12283588 0.89 ACHE (0.48) ACHETDP1GAAALDH1A1CA1
SCHEMBL7935408 0.87 ACHE (0.62) ACHETDP1GAAALDH1A1CA1
SCHEMBL6912797 0.87 ACHE (0.62) ACHETDP1GAAALDH1A1CA1
SCHEMBL3155473 0.87 ACHE (0.62) ACHETDP1GAALMNA
SCHEMBL20198348 0.87 ACHE (0.38) ACHETDP1GAAALDH1A1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1675930-B1 NEW MATERIALS FOR ELECTROLUMINESCENCE AND THE UTILIZATION THEREOF MERCK PATENT GMBH (DE) 2018-05-30 EP 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-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