SCHEMBL27404324

SCHEMBL27404324

NC(=O)Nc1cc(Nc2nc(Cl)nc(Nc3cc(S(=O)(=O)O)ccc3C(=O)O)n2)ccc1/N=N/c1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1S(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.42
▸ CHAT P28329 3/20 0.37
▸ USP2 O75604 2/20 0.37
▸ APEX1 P27695 2/20 0.37
▸ ENPP3 O14638 1/20 0.36
▸ ENPP1 P22413 1/20 0.36
▸ CA12 O43570 9/20 0.34
▸ CA1 P00915 9/20 0.34
▸ CA2 P00918 9/20 0.34
▸ CA9 Q16790 9/20 0.34
▸ CA14 Q9ULX7 4/20 0.33
▸ HPGDS O60760 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ THRB P10828 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ P2RY4 P51582 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32

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
SCHEMBL27404369 0.95 FUT8 (0.39) FUT8CHATUSP2APEX1ENPP3
SCHEMBL16624668 0.89 FUT8 (0.45) FUT8CHATUSP2APEX1ENPP3
SCHEMBL27404091 0.86 P2RY2 (0.39) FUT8CHATUSP2APEX1ENPP3
SCHEMBL45600 0.84 FUT8 (0.44) FUT8CHATUSP2APEX1ENPP3
SCHEMBL6747988 0.83 CA12 (0.36) FUT8CHATCA12CA1CA2
SCHEMBL27404580 0.83 FUT8 (0.32) FUT8
SCHEMBL15985984 0.83 FUT8 (0.43) FUT8CHATUSP2APEX1ENPP3
SCHEMBL16626824 0.82 FUT8 (0.46) FUT8CHATUSP2APEX1ENPP3
SCHEMBL13880709 0.82 FUT8 (0.42) FUT8CHATUSP2APEX1ENPP3
SCHEMBL16626841 0.80 FUT8 (0.33) FUT8CHATUSP2APEX1CA12

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-2024133576-A1 FIBRE-REACTIVE ISOMERIC YELLOW DYE MIXTURES, THEIR PREPARATION AND THEIR USE ARCHROMA (SWITZERLAND) GMBH (CH) 2024-06-27 — — WO disclosed
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