SCHEMBL17384276

SCHEMBL17384276

CC(=O)Nc1cc(Nc2nc(Cl)nc(Nc3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3)n2)ccc1/N=N/c1cccc(S(=O)(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.40
▸ FUT8 Q9BYC5 1/20 0.38
▸ CA12 O43570 7/20 0.38
▸ CA1 P00915 7/20 0.38
▸ CA2 P00918 7/20 0.38
▸ CA9 Q16790 7/20 0.38
▸ CHAT P28329 3/20 0.38
▸ CA14 Q9ULX7 2/20 0.36
▸ ENPP3 O14638 1/20 0.36
▸ ENPP1 P22413 1/20 0.36
▸ CHRNA7 P36544 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ CASP6 P55212 1/20 0.35
▸ ENPP2 Q13822 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CACNA1B Q00975 1/20 0.34
▸ APBA1 Q02410 1/20 0.34
▸ KMT2A Q03164 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
SCHEMBL17384127 0.87 ATIC (0.39) POLBFUT8CA12CA1CA2
SCHEMBL15985825 0.87 ATIC (0.39) POLBFUT8CA12CA1CA2
SCHEMBL17384277 0.87 POLB (0.43) POLBFUT8CA12CA1CA2
SCHEMBL17327075 0.82 FUT8 (0.41) POLBFUT8CA12CA1CA2
SCHEMBL17384286 0.82 ENPP2 (0.49) FUT8CA2APEX1ENPP2MEN1
SCHEMBL17327074 0.82 FUT8 (0.41) POLBFUT8CA12CA1CA2
SCHEMBL13604284 0.79 FUT8 (0.35) POLBFUT8CA12CA1CA2
SCHEMBL22375835 0.78 CA9 (0.49) CA12CA1CA2CA9CHAT
SCHEMBL45600 0.77 FUT8 (0.44) FUT8CA12CA1CA2CA9
SCHEMBL22375891 0.77 CA9 (0.49) POLBCA12CA1CA2CA9

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
WO-2015193104-A1 MIXTURES OF REACTIVE DYES HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2015-12-23 — — WO disclosed
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