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SCHEMBL20685369

SCHEMBL20685369

C=C(/N=C(\N=C(/C)Cl)Nc1ccc(S(=O)(=O)O)c(Nc2nc(Cl)nc(Nc3cccc(S(=O)(=O)O)c3)n2)c1)Nc1ccc(/N=N\c2cc3c(S(=O)(=O)O)cc(S(=O)(=O)O)cc3cc2S(=O)(=O)O)c(NCN=O)c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.38
▸ CHAT P28329 3/20 0.36
▸ ENPP3 O14638 1/20 0.36
▸ ENPP1 P22413 1/20 0.36
▸ MEN1 O00255 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ USP2 O75604 1/20 0.31
▸ APEX1 P27695 1/20 0.31

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
SCHEMBL20692440 0.90 FUT8 (0.45) FUT8CHATENPP3ENPP1MEN1
SCHEMBL18218268 0.80 FUT8 (0.48) FUT8CHATENPP3ENPP1MEN1
SCHEMBL20685430 0.79 FUT8 (0.40) FUT8CHATENPP3ENPP1USP2
SCHEMBL19650509 0.78 FUT8 (0.43) FUT8CHATENPP3ENPP1MEN1
SCHEMBL9154680 0.74 FUT8 (0.46) FUT8CHATENPP3ENPP1MEN1
SCHEMBL13880709 0.72 FUT8 (0.42) FUT8CHATENPP3ENPP1MEN1
SCHEMBL14400234 0.72 FUT8 (0.45) FUT8CHATMEN1THRBKMT2A
SCHEMBL9740928 0.71 FUT8 (0.48) FUT8CHATENPP3ENPP1MEN1
SCHEMBL9270771 0.71 FUT8 (0.48) FUT8CHATENPP3ENPP1MEN1
SCHEMBL13880751 0.69 FUT8 (0.47) FUT8CHATENPP3ENPP1MEN1

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
EP-3434735-A1 REACTIVE BLACK DYE COMPOSITION AND METHOD FOR DYING FIBERS USING THE SAME Everlight Chemical Industrial Corporation (TW) 2019-01-30 — — EP disclosed
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