SCHEMBL16838441

SCHEMBL16838441

COc1cc(S(=O)(=O)CCOS(=O)(=O)O)ccc1/N=N/c1c(S(=O)(=O)O)cc2c(/N=N/c3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3)c(NCS(=O)(=O)O)ccc2c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHLPP2 Q6ZVD8 2/20 0.40
▸ ENPP2 Q13822 10/20 0.40
▸ THRB P10828 2/20 0.38
▸ CD40 P25942 1/20 0.38
▸ CD40LG P29965 1/20 0.38
▸ CA2 P00918 1/20 0.37
▸ CA3 P07451 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ BRCA1 P38398 1/20 0.35

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
SCHEMBL16838463 0.92 PHLPP2 (0.42) PHLPP2ENPP2THRBCD40CD40LG
SCHEMBL14388762 0.91 CD40 (0.44) ENPP2THRBCD40CD40LGCA2
SCHEMBL14388938 0.91 CD40 (0.44) ENPP2THRBCD40CD40LGCA2
SCHEMBL14388926 0.91 THRB (0.42) ENPP2THRBCD40CD40LGCA2
SCHEMBL14346733 0.89 ENPP2 (0.40) PHLPP2ENPP2THRBCD40CD40LG
SCHEMBL16838426 0.88 ENPP2 (0.38) PHLPP2ENPP2CD40CD40LGCA2
SCHEMBL14346573 0.88 PTPN1 (0.40) PHLPP2ENPP2THRBCD40CD40LG
SCHEMBL14388760 0.88 CD40 (0.40) ENPP2THRBCD40CD40LGCA2
SCHEMBL16838480 0.87 ENPP2 (0.41) PHLPP2ENPP2THRBCD40CD40LG
SCHEMBL14388846 0.87 CD40 (0.39) ENPP2THRBCD40CD40LGCA2

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
EP-2391683-B1 FIBER-REACTIVE COPPER COMPLEX DISAZO DYES DYSTAR COLOURS DISTRIB GMBH (DE) 2017-03-29 — — EP disclosed
US-9062208-B2 Fiber-reactive copper complex disazo dyes DYSTAR COLOURS DISTRIBUTION GMBH (DE) 2015-06-23 — — US disclosed
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