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Sugi Predict / Compounds / SCHEMBL25592399

SCHEMBL25592399

SCHEMBL25592399

CCN(c1cccc(S(=O)(=O)/C=C/OS(=O)(=O)O)c1)c1nc(Cl)nc(Nc2cc(S(=O)(=O)O)cc3ccc(N=Nc4ccccc4S(=O)(=O)O)c(O)c23)n1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.49
▸ MEN1 O00255 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PRMT1 Q99873 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL25592394 0.93 FUT8 (0.42) FUT8MEN1THRBKMT2APRMT1
SCHEMBL12589954 0.88 FUT8 (0.58) FUT8MEN1THRBKMT2APRMT1
SCHEMBL12173260 0.88 FUT8 (0.58) FUT8MEN1THRBKMT2APRMT1
SCHEMBL8628450 0.80 FUT8 (0.71) FUT8MEN1THRBKMT2APRMT1
SCHEMBL8628445 0.80 FUT8 (0.71) FUT8MEN1THRBKMT2APRMT1
SCHEMBL12589961 0.78 FUT8 (0.45) FUT8MEN1THRBKMT2AALDH1A1
SCHEMBL12173273 0.78 FUT8 (0.45) FUT8MEN1THRBKMT2AALDH1A1
SCHEMBL881777 0.77 FUT8 (0.52) FUT8MEN1THRBKMT2APRMT1
SCHEMBL20008109 0.77 FUT8 (0.52) FUT8MEN1THRBKMT2APRMT1
SCHEMBL24019200 0.77 FUT8 (0.55) FUT8MEN1KMT2APRMT1ALDH1A1

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-20230167304-A1 Mixture Of Reactive Dyes And Their Use For The Dyeing Or Printing Of Textile Fibre Materials HUNTSMAN TEXTILE EFFECTS (SWITZERLAND) GMBH (CH) 2023-06-01 — — US disclosed
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