SCHEMBL18675680

SCHEMBL18675680

COc1cc(/N=N/c2c(S(=O)(=O)O)cc3c(/N=N/c4ccc(S(=O)(=O)CCOS(=O)(=O)O)cc4)c(NCS(=O)(=O)O)ccc3c2OC)c(O)cc1S(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 5/20 0.35
▸ CA2 P00918 3/20 0.34
▸ CA3 P07451 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ CA1 P00915 2/20 0.33
▸ PHLPP2 Q6ZVD8 1/20 0.33
▸ CD40 P25942 1/20 0.32
▸ CD40LG P29965 1/20 0.32
▸ MPL P40238 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ PTPN1 P18031 2/20 0.32
▸ PTGS1 P23219 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ BRD4 O60885 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
SCHEMBL16838427 0.98 ENPP2 (0.35) ENPP2CA2CA3THRBCA1
SCHEMBL16838482 0.93 PRMT1 (0.36) ENPP2MPLPTPN1
SCHEMBL16838478 0.92 CYP1A2 (0.36) ENPP2CA2CA3THRBPHLPP2
SCHEMBL16838424 0.91 ENPP2 (0.32) ENPP2CD40CD40LGMPLPTPN1
SCHEMBL16838428 0.90 ENPP2 (0.36) ENPP2CA2CA3THRBCA1
SCHEMBL16838422 0.89 THRB (0.35) ENPP2CA2CA3THRBCD40
SCHEMBL16838429 0.88 PTPN1 (0.39) ENPP2MPLPTPN1
SCHEMBL16838435 0.86 PTPN1 (0.38) ENPP2MPLPTPN1
SCHEMBL16838441 0.86 PHLPP2 (0.40) ENPP2CA2CA3THRBPHLPP2
SCHEMBL16838452 0.86 ENPP2 (0.33) ENPP2THRBCD40CD40LGPTPN1

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-2391683-B1 FIBER-REACTIVE COPPER COMPLEX DISAZO DYES DYSTAR COLOURS DISTRIB GMBH (DE) 2017-03-29 — — EP disclosed
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