SCHEMBL13722809

SCHEMBL13722809

CNc1nc(F)nc(Nc2cc(S(=O)(=O)O)ccc2S(=O)(=O)O)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.52
CA2 P00918 6/20 0.52
CA9 Q16790 6/20 0.52
CA12 O43570 4/20 0.52
CA4 P22748 4/20 0.52
CA6 P23280 4/20 0.52
CA7 P43166 4/20 0.52
CA14 Q9ULX7 4/20 0.52
CA13 Q8N1Q1 3/20 0.52
CA5A P35218 3/20 0.52
CA3 P07451 2/20 0.52
SNCA P37840 2/20 0.35
CASP6 P55212 1/20 0.35
PTK2 Q05397 1/20 0.34
CHAT P28329 4/20 0.34
APEX1 P27695 2/20 0.33
FUT8 Q9BYC5 1/20 0.33
USP2 O75604 1/20 0.33
LRRK2 Q5S007 1/20 0.33
MAPT P10636 2/20 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
SCHEMBL9009807 0.91 CA12 (0.47) CA1CA2CA9CA12CA4
SCHEMBL21325886 0.88 CA1 (0.43) CA1CA2CA9CA12CA4
SCHEMBL16063642 0.87 CA1 (0.55) CA1CA2CA9CA12CA4
SCHEMBL16063643 0.87 CA1 (0.45) CA1CA2CA9CA12CA4
SCHEMBL14087146 0.87 CA12 (0.39) CA1CA2CA9CA12CA4
SCHEMBL15806659 0.85 CA1 (0.43) CA1CA2CA9CA12CA4
SCHEMBL8076324 0.85 CA12 (0.39) CA1CA2CA9CA12CA4
SCHEMBL13891663 0.85 CA9 (0.42) CA1CA2CA9CA12CA4
SCHEMBL16560637 0.83 APEX1 (0.46) CA1CA2CA9CA12CA4
SCHEMBL15866074 0.82 CA1 (0.44) CA1CA2CA9CA12CA4

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
EP-1954765-B1 MIXTURES OF REACTIVE DYES AND THEIR USE IN A METHOD FOR TRICHROMATIC DYEING OR PRINTING HUNTSMAN ADV MAT SWITZERLAND (CH) 2009-08-26 EP disclosed