SCHEMBL14038464

SCHEMBL14038464

CN(CCSCCO)c1nc(Nc2ccc(/N=N/c3c(N)c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)cc(O)c34)c(S(=O)(=O)O)c2)nc(-[n+]2cccc(C(=O)O)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 4/20 0.40
▸ FUT8 Q9BYC5 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ CA12 O43570 2/20 0.32
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA9 Q16790 2/20 0.32
▸ PRMT1 Q99873 1/20 0.32
▸ CYP2C9 P11712 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ DNASE1L3 Q13609 1/20 0.30

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
SCHEMBL14013123 0.86 ENPP2 (0.43) ENPP2FUT8MEN1THRBKMT2A
SCHEMBL14038441 0.86 CA1 (0.45) ENPP2FUT8MEN1THRBKMT2A
SCHEMBL14013098 0.81 — —
SCHEMBL14013131 0.80 ENPP2 (0.41) ENPP2FUT8MEN1THRBKMT2A
SCHEMBL14038377 0.79 FUT8 (0.46) ENPP2FUT8MEN1THRBKMT2A
SCHEMBL14013139 0.76 FUT8 (0.39) ENPP2FUT8CA12CA1CA2
SCHEMBL14038346 0.75 FUT8 (0.49) ENPP2FUT8MEN1THRBKMT2A
SCHEMBL14038348 0.73 FUT8 (0.57) ENPP2FUT8MEN1THRBKMT2A
SCHEMBL14013143 0.72 FUT8 (0.39) ENPP2FUT8CYP1A2CA12CA1
SCHEMBL14013104 0.71 ENPP2 (0.37) ENPP2

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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