SCHEMBL14013147

SCHEMBL14013147

Nc1c(/N=N/c2cc(Nc3nc(Cl)nc(N(CCSCCO)c4ccccc4)n3)ccc2S(=O)(=O)O)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3cc(Nc4nc(Cl)nc(N(CCSCCO)c5ccccc5)n4)ccc3S(=O)(=O)O)c(O)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.49
▸ ENPP2 Q13822 6/20 0.38
▸ CYP1A2 P05177 2/20 0.36
▸ PRMT1 Q99873 2/20 0.35
▸ CARM1 Q86X55 1/20 0.35
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ DNASE1L3 Q13609 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CHAT P28329 2/20 0.32
▸ PHLPP2 Q6ZVD8 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ APEX1 P27695 1/20 0.32
▸ HPGDS O60760 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
SCHEMBL14013138 0.89 FUT8 (0.47) FUT8ENPP2CYP1A2PRMT1CARM1
SCHEMBL14013130 0.89 FUT8 (0.42) FUT8ENPP2CYP1A2PRMT1CYP2C9
SCHEMBL14021976 0.85 FUT8 (0.51) FUT8ENPP2CYP1A2PRMT1CARM1
SCHEMBL14013129 0.84 THRB (0.45) FUT8ENPP2CYP1A2PRMT1CARM1
SCHEMBL14038377 0.84 FUT8 (0.46) FUT8ENPP2CYP1A2PRMT1CARM1
SCHEMBL14045325 0.83 FUT8 (0.60) FUT8ENPP2CYP1A2PRMT1CARM1
SCHEMBL14013139 0.82 FUT8 (0.39) FUT8ENPP2PRMT1CARM1CA12
SCHEMBL14045367 0.81 FUT8 (0.48) FUT8ENPP2CYP1A2PRMT1CARM1
SCHEMBL14013143 0.81 FUT8 (0.39) FUT8ENPP2CYP1A2PRMT1CARM1
SCHEMBL4162603 0.80 FUT8 (0.61) FUT8ENPP2CYP1A2PRMT1CARM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280053-A1 Reactive Dyes Containing Divalent Sulfur in Non-Reactive Side Chain at Trizine Nucleus DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2008-11-13 — — US disclosed
US-20080280053-A1 Reactive Dyes Containing Divalent Sulfur in Non-Reactive Side Chain at Trizine Nucleus DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2008-11-13 — — US disclosed
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