SCHEMBL14038414

SCHEMBL14038414

Nc1c(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3cc(Nc4nc(Cl)nc(NCCSCCO)n4)ccc3S(=O)(=O)O)c(O)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.46
▸ FUT8 Q9BYC5 1/20 0.46
▸ PRMT1 Q99873 2/20 0.38
▸ CARM1 Q86X55 1/20 0.38
▸ CA12 O43570 3/20 0.36
▸ CA1 P00915 3/20 0.36
▸ CA2 P00918 3/20 0.36
▸ CA9 Q16790 3/20 0.36
▸ CA14 Q9ULX7 2/20 0.36
▸ ENPP2 Q13822 7/20 0.36
▸ CA5A P35218 1/20 0.36
▸ CA5B Q9Y2D0 1/20 0.36
▸ CYP1A2 P05177 1/20 0.32
▸ PHLPP2 Q6ZVD8 1/20 0.32
▸ CD40 P25942 1/20 0.31
▸ CD40LG P29965 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ USP2 O75604 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
SCHEMBL14388939 0.91 THRB (0.55) THRBFUT8PRMT1CARM1CA2
SCHEMBL16624649 0.86 FUT8 (0.52) THRBFUT8PRMT1CARM1CA2
SCHEMBL14013114 0.86 THRB (0.41) THRBFUT8PRMT1CARM1CA12
SCHEMBL16664577 0.86 FUT8 (0.51) THRBFUT8PRMT1CARM1ENPP2
SCHEMBL14514299 0.85 FUT8 (0.54) THRBFUT8PRMT1CARM1CA12
SCHEMBL12053476 0.85 THRB (0.46) THRBFUT8PRMT1CARM1ENPP2
SCHEMBL12053489 0.84 THRB (0.46) THRBFUT8PRMT1CARM1ENPP2
SCHEMBL14388839 0.84 THRB (0.56) THRBFUT8PRMT1CARM1CA2
SCHEMBL14013129 0.83 THRB (0.45) THRBFUT8PRMT1CARM1ENPP2
SCHEMBL13069419 0.83 FUT8 (0.53) THRBFUT8PRMT1CARM1CA12

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-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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