SCHEMBL1685227

SCHEMBL1685227

Nc1nnc(S)s1.Nc1nnc(S)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.43
ALDH1A1 P00352 7/20 0.40
POLB P06746 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
GAA P10253 4/20 0.36
GLS O94925 2/20 0.36
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 2/20 0.34
F2 P00734 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL94066 1.00
SCHEMBL6542229 0.97
SCHEMBL21645232 0.97
SCHEMBL28392308 0.97 FBP1 (0.42) FBP1ALDH1A1POLBCA12CA1
SCHEMBL28409125 0.97 FBP1 (0.42) FBP1ALDH1A1POLBCA12CA1
SCHEMBL28396937 0.97 FBP1 (0.42) FBP1ALDH1A1POLBCA12CA1
SCHEMBL28003423 0.97
SCHEMBL28430354 0.94
SCHEMBL28888404 0.94 FBP1 (0.40) FBP1ALDH1A1POLBCA12CA1
SCHEMBL969142 0.84 KDM4E (0.43) ALDH1A1GAAHSD17B10KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8323598-B2 Capture of mercury from a gaseous mixture containing mercury GORE ENTERPRISE HOLDINGS, INC. (US) 2012-12-04 US claimed
US-20120006196-A1 Capture of mercury from a gaseous mixture containing mercury W. L. GORE & ASSOCIATES, INC. 2012-01-12 US disclosed
US-8034741-B2 Capture of mercury from a gaseous mixture containing mercury GORE ENTERPRISE HOLDINGS, INC. (US) 2011-10-11 US disclosed