SCHEMBL6935649

SCHEMBL6935649

Nc1ccc(CCOS(=O)(=O)O)cc1.O=[SH2]=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.44
GFER P55789 1/20 0.43
CA1 P00915 6/20 0.43
CA2 P00918 6/20 0.43
CA9 Q16790 2/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAOB P27338 4/20 0.38
MAOA P21397 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
NT5E P21589 1/20 0.38
MET P08581 1/20 0.36
CA12 O43570 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
CYP19A1 P11511 1/20 0.35

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
SCHEMBL9002486 0.95 RECQL (0.48) RECQLGFERCA1CA2CA9
SCHEMBL8019359 0.81 RECQL (0.51) RECQLGFERCA1CA2CA9
SCHEMBL6937116 0.81 CA1 (0.46) CA1CA2CA9MAOBMAOA
SCHEMBL10429484 0.79 CA1 (0.39) CA1CA2CA9RAB9ACA12
SCHEMBL10627723 0.78 ESR1 (0.50) CA1CA2CA9NPC1RAB9A
Hydrazine SCHEMBL1308719 0.77 CA2 (0.67) GFERCA1CA2CA9NPC1
SCHEMBL27570548 0.77 RECQL (0.48) RECQLGFERCA1CA2CA9
SCHEMBL7718107 0.76 RECQL (0.41) RECQLGFERCA1CA2CA9
SCHEMBL9958502 0.76 RECQL (0.44) RECQLGFERCA1CA2CA9
SCHEMBL3434223 0.76 TSHR (0.45) RECQLCA1CA2CA9MAOA

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
EP-0777703-B1 DICYCLIC METAL COMPLEX FORMAZAN DERIVATIVES, PROCESS FOR PRODUCING THE SAME, COMPOSITION CONTAINING THE SAME AND DYEING PROCESS EMPLOYING THE SAME KYUNGIN SYNTHETIC CORP (KR) 2003-06-25 EP disclosed
US-6407220-B1 FOR DYEING AND PRINTING OF MATERIALS CONTAINING CELLULOSE FIBERS; HIGH FIXATION AND GOOD BUILD-UP EVERLIGHT USA, INC. 2002-06-18 US disclosed
US-5858026-A EXCELLENT DYEING PROPERTIES COMPARED TO THE TRICYCLIC METAL FORMAZAN COMPOUNDS; POST-DYEING SUNLIGHT AND WASHFASTNESS KYUNG-IN SYNTHETIC CORPORATION (KR) 1999-01-12 US disclosed