SCHEMBL20685373

SCHEMBL20685373

O=S(=O)(O)c1cc(Nc2nc(Cl)nc(Nc3ccc(S(=O)(=O)O)c(Nc4nc(Cl)nc(NCCOCCO)n4)c3)n2)c2c(O)c(N=Nc3ccc4c(S(=O)(=O)O)cccc4c3S(=O)(=O)O)c(S)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.52
▸ MEN1 O00255 2/20 0.34
▸ THRB P10828 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ CA14 Q9ULX7 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ DNASE1L3 Q13609 1/20 0.32
▸ ENPP2 Q13822 3/20 0.32
▸ KCNH3 Q9ULD8 3/20 0.32
▸ CA5A P35218 1/20 0.31
▸ CA5B Q9Y2D0 1/20 0.31
▸ CARM1 Q86X55 1/20 0.31
▸ PRMT1 Q99873 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
SCHEMBL20692455 0.95 FUT8 (0.58) FUT8MEN1THRBKMT2ACA12
SCHEMBL20685371 0.93 FUT8 (0.55) FUT8MEN1THRBKMT2ACA12
SCHEMBL20685453 0.86 FUT8 (0.53) FUT8MEN1THRBKMT2ACA12
SCHEMBL20685452 0.83 FUT8 (0.67) FUT8MEN1THRBKMT2ATDP1
SCHEMBL13823095 0.82 FUT8 (0.55) FUT8MEN1THRBKMT2ATDP1
SCHEMBL20685366 0.82 FUT8 (0.65) FUT8MEN1THRBKMT2ATDP1
SCHEMBL20685379 0.82 FUT8 (0.65) FUT8MEN1THRBKMT2ATDP1
SCHEMBL13455170 0.81 FUT8 (0.77) FUT8MEN1THRBKMT2ATDP1
SCHEMBL12955141 0.80 FUT8 (0.64) FUT8MEN1THRBKMT2ATDP1
SCHEMBL8974959 0.78 FUT8 (0.69) FUT8MEN1THRBKMT2ATDP1

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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