SCHEMBL20685371

SCHEMBL20685371

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)cccc4c3S(=O)(=O)O)c(S(=O)(=O)O)cc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.55
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ DNASE1L3 Q13609 1/20 0.36
▸ ENPP2 Q13822 4/20 0.35
▸ PRMT1 Q99873 2/20 0.34
▸ CARM1 Q86X55 1/20 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
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ THRB P10828 2/20 0.33
▸ PHLPP2 Q6ZVD8 1/20 0.32
▸ ENPP3 O14638 1/20 0.32
▸ ENPP1 P22413 1/20 0.32
▸ CHAT P28329 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
SCHEMBL20692455 0.95 FUT8 (0.58) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL20685373 0.93 FUT8 (0.52) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL20685452 0.83 FUT8 (0.67) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL13823095 0.82 FUT8 (0.55) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL20685366 0.82 FUT8 (0.65) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL20685379 0.82 FUT8 (0.65) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL13455170 0.81 FUT8 (0.77) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL20685503 0.80 FUT8 (0.53) FUT8CYP1A2ENPP2PRMT1CARM1
SCHEMBL12955141 0.80 FUT8 (0.64) FUT8CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL20685453 0.79 FUT8 (0.53) FUT8CYP1A2CYP2C9MAPK1DNASE1L3

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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