SCHEMBL14080045

SCHEMBL14080045

Nc1c(/N=N/c2cc(S(=O)(=O)O)ccc2S(=O)(=O)O)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3cc(Nc4nc(Cl)nc(Cl)n4)ccc3S(=O)(=O)O)c(O)c12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.61
▸ PRMT1 Q99873 2/20 0.48
▸ CYP1A2 P05177 2/20 0.47
▸ ENPP2 Q13822 6/20 0.44
▸ CARM1 Q86X55 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CYP2C9 P11712 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ DNASE1L3 Q13609 1/20 0.42
▸ CHAT P28329 3/20 0.41
▸ USP2 O75604 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ ENPP3 O14638 1/20 0.40
▸ ENPP1 P22413 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39

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
SCHEMBL4162603 1.00 FUT8 (0.61) FUT8PRMT1CYP1A2ENPP2CARM1
SCHEMBL4162607 1.00 FUT8 (0.61) FUT8PRMT1CYP1A2ENPP2CARM1
SCHEMBL22768258 0.96 FUT8 (0.64) FUT8PRMT1CYP1A2ENPP2CARM1
SCHEMBL14045325 0.96 FUT8 (0.60) FUT8PRMT1CYP1A2ENPP2CARM1
SCHEMBL12172962 0.96 FUT8 (0.59) FUT8PRMT1CYP1A2ENPP2CARM1
SCHEMBL14959362 0.96 FUT8 (0.59) FUT8PRMT1CYP1A2ENPP2CARM1
SCHEMBL30763643 0.95 FUT8 (0.58) FUT8PRMT1CYP1A2ENPP2CARM1
SCHEMBL13934364 0.93 FUT8 (0.62) FUT8PRMT1CYP1A2ENPP2CARM1
SCHEMBL20685317 0.91 FUT8 (0.60) FUT8PRMT1CYP1A2ENPP2CARM1
SCHEMBL14594988 0.91 FUT8 (0.60) FUT8PRMT1CYP1A2ENPP2CARM1

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-20080216256-A1 Heterobifunctional reactive dyes comprising a cysteamine linking group NORTH CAROLINA STATE UNIVERSITY (US) 2008-09-11 — — US disclosed
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