SCHEMBL8951860

SCHEMBL8951860

Nc1cc(Nc2nc(F)nc(NCCS(=O)(=O)O)n2)ccc1S(=O)(=O)O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 13/20 0.50
▸ CA2 P00918 13/20 0.50
▸ CA9 Q16790 13/20 0.50
▸ CA12 O43570 10/20 0.50
▸ CA14 Q9ULX7 9/20 0.50
▸ CA4 P22748 5/20 0.50
▸ CA6 P23280 5/20 0.50
▸ CA7 P43166 5/20 0.50
▸ CA5A P35218 4/20 0.50
▸ CA3 P07451 4/20 0.50
▸ CA13 Q8N1Q1 3/20 0.40
▸ KCNH3 Q9ULD8 6/20 0.39
▸ CA5B Q9Y2D0 1/20 0.38
▸ FCGR3B O75015 1/20 0.35
▸ FCGR1A P12314 1/20 0.35
▸ FCGR2A P12318 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
SCHEMBL8960399 0.82 CA12 (0.57) CA1CA2CA9CA12CA14
SCHEMBL8951887 0.82 CA1 (0.53) CA1CA2CA9CA12CA14
SCHEMBL9008037 0.81 CA12 (0.42) CA1CA2CA9CA12CA14
SCHEMBL8951868 0.80 NPC1 (0.46) CA1CA2CA9CA12CA14
SCHEMBL8951858 0.80 CHAT (0.48) CA1CA2CA9CA12CA14
SCHEMBL9799399 0.80 HPGDS (0.49) CA1CA2CA9CA12CA14
SCHEMBL10391720 0.79 CA9 (0.49) CA1CA2CA9CA12CA14
SCHEMBL10607664 0.79 CA1 (0.46) CA1CA2CA9CA12CA14
SCHEMBL8432248 0.78 CA9 (0.39) CA1CA2CA9CA12CA14
SCHEMBL14642085 0.78 ENPP2 (0.45) CA1CA2CA9CA12CA14

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-0567793-B1 Water-soluble azocompounds, process for their manufacture and their use as dyes HOECHST AG (DE) 1996-10-23 — — EP disclosed
US-5514782-A Phenyl-azo-aminophenyl compounds substituted by an aminosubstituted fluoro-triazinylamino group and a fibre-reactive group of the vinylsulfone series HOECHST AKTIENGESELLSCHAFT (DE) 1996-05-07 — — US disclosed
EP-0567793-A1 Water-soluble azocompounds, process for their manufacture and their use as dyes HOECHST AKTIENGESELLSCHAFT (DE) 1993-11-03 — — EP disclosed
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