SCHEMBL22375835

SCHEMBL22375835

O=S(=O)(O)OCCS(=O)(=O)c1cccc(Nc2nc(Cl)nc(Nc3ccc(S(=O)(=O)O)cc3)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 13/20 0.49
CA12 O43570 12/20 0.49
CA1 P00915 12/20 0.49
CA2 P00918 12/20 0.49
CHAT P28329 3/20 0.49
ENPP3 O14638 1/20 0.45
ENPP1 P22413 1/20 0.45
USP2 O75604 1/20 0.44
APEX1 P27695 1/20 0.44
CA14 Q9ULX7 5/20 0.43
CA5A P35218 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
PTK2 Q05397 1/20 0.41
TNNI3K Q59H18 1/20 0.41
SNCA P37840 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL24558558 0.92 CA9 (0.46) CA9CA12CA1CA2CHAT
SCHEMBL22375891 0.90 CA9 (0.49) CA9CA12CA1CA2CHAT
SCHEMBL14546760 0.87 CA12 (0.48) CA9CA12CA1CA2CHAT
SCHEMBL14004224 0.87 CHAT (0.47) CA9CA12CA1CA2CHAT
SCHEMBL16560576 0.87 NSD2 (0.52) CA9CA12CA1CA2CHAT
SCHEMBL13481890 0.87 CA9 (0.51) CA9CA12CA1CA2CHAT
SCHEMBL17323140 0.87 CA12 (0.65) CA9CA12CA1CA2CA14
SCHEMBL10078961 0.86 CA12 (0.45) CA9CA12CA1CA2CHAT
SCHEMBL12147044 0.84 CA9 (0.56) CA9CA12CA1CA2CA14
SCHEMBL16560587 0.84 FUT8 (0.46) CA9CA12CA1CA2CHAT

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
US-20200270460-A1 MIXTURES OF FIBRE-REACTIVE AZO DYES, THEIR PREPARATION AND THEIR USE ARCHROMA IP GMBH (CH) 2020-08-27 US disclosed