SCHEMBL13513259

SCHEMBL13513259

O=[SH](=O)c1ccc(Nc2nc(Cl)nc(Nc3ccc4c(O)c(N=Nc5ccc6c(S(=O)(=O)O)cccc6c5S(=O)(=O)O)c(S(=O)(=O)O)cc4c3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.53
▸ PRMT1 Q99873 2/20 0.46
▸ CARM1 Q86X55 1/20 0.46
▸ CD40 P25942 1/20 0.42
▸ CD40LG P29965 1/20 0.42
▸ ENPP2 Q13822 9/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ PRMT3 O60678 1/20 0.39
▸ EP300 Q09472 1/20 0.39
▸ PRMT6 Q96LA8 1/20 0.39
▸ PHLPP2 Q6ZVD8 1/20 0.38
▸ CYP1A2 P05177 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ CYP2C9 P11712 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ DNASE1L3 Q13609 1/20 0.36

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
SCHEMBL13406580 0.93 FUT8 (0.57) FUT8PRMT1CARM1CD40CD40LG
SCHEMBL13880626 0.85 FUT8 (0.50) FUT8PRMT1CARM1CD40CD40LG
SCHEMBL14565547 0.85 FUT8 (0.50) FUT8PRMT1CARM1CD40CD40LG
SCHEMBL13455170 0.84 FUT8 (0.77) FUT8PRMT1CARM1CD40CD40LG
SCHEMBL15035474 0.83 FUT8 (0.65) FUT8PRMT1CARM1CD40CD40LG
SCHEMBL15362445 0.83 FUT8 (0.58) FUT8PRMT1CARM1ENPP2MEN1
SCHEMBL13387197 0.82 FUT8 (0.46) FUT8PRMT1CARM1CD40CD40LG
SCHEMBL16624642 0.81 FUT8 (0.51) FUT8PRMT1CARM1CD40CD40LG
SCHEMBL7778366 0.81 CD40 (0.44) FUT8PRMT1CARM1CD40CD40LG
SCHEMBL7778371 0.81 CD40 (0.44) FUT8PRMT1CARM1CD40CD40LG

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-1760117-B1 Reactive dyestuff compositions and their use EVERLIGHT USA INC (US) 2010-01-13 — — EP disclosed
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