SCHEMBL6937116

SCHEMBL6937116

Nc1cccc(CCOS(=O)(=O)O)c1.O=[SH2]=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
CYP19A1 P11511 2/20 0.45
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PRMT1 Q99873 1/20 0.38
GRM2 Q14416 1/20 0.36
GRM3 Q14832 1/20 0.36
LMNA P02545 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
CCR2 P41597 2/20 0.35
CA12 O43570 1/20 0.35
CA4 P22748 1/20 0.35
CA14 Q9ULX7 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
SCHEMBL9133787 0.95 MAOB (0.50) CA1CA2CA9MAOAMAOB
SCHEMBL6935649 0.81 RECQL (0.44) CA1CA2CA9MAOAMAOB
SCHEMBL7718125 0.79 ALDH1A1 (0.41) CA1CA2CA9MAOAMAOB
SCHEMBL10429484 0.77 CA1 (0.39) CA1CA2CA9CA12CA4
SCHEMBL10908185 0.76 CTDSP1 (0.42)
SCHEMBL9002486 0.75 RECQL (0.48) CA1CA2CA9MAOAMAOB
Hydrazine SCHEMBL1308719 0.75 CA2 (0.67) CA1CA2CA9ALDH1A1TSHR
SCHEMBL3373578 0.75 CA1 (0.66) CA1CA2CA9ALDH1A1TSHR
SCHEMBL29674870 0.74 MAOA (0.55) CA1CA2CA9MAOAMAOB
SCHEMBL1607251 0.74 MAOA (0.55) CA1CA2CA9MAOAMAOB

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