SCHEMBL16838508

SCHEMBL16838508

COc1cc(S(=O)(=O)CCOS(=O)(=O)O)c(C)cc1/N=N/c1c(S(=O)(=O)O)cc2c(/N=N/c3ccc(C)cc3S(=O)(=O)O)c(NCS(=O)(=O)O)ccc2c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 7/20 0.38
▸ PTPN1 P18031 2/20 0.37
▸ PHLPP2 Q6ZVD8 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ APEX1 P27695 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ BRCA1 P38398 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SLC10A1 Q14973 1/20 0.32

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
SCHEMBL14346573 0.94 PTPN1 (0.40) ENPP2PTPN1PHLPP2ALDH1A1HIF1A
SCHEMBL14346733 0.87 ENPP2 (0.40) ENPP2PTPN1PHLPP2ALDH1A1HIF1A
SCHEMBL14388945 0.86 PTPN1 (0.42) ENPP2PTPN1PHLPP2ALDH1A1HIF1A
SCHEMBL16838429 0.84 PTPN1 (0.39) ENPP2PTPN1
SCHEMBL16838485 0.84 ENPP2 (0.41) ENPP2PTPN1PHLPP2ALDH1A1HIF1A
SCHEMBL14388821 0.83 ENPP2 (0.41) ENPP2PTPN1PHLPP2ALDH1A1HIF1A
SCHEMBL16838431 0.82 PHLPP2 (0.37) ENPP2PTPN1PHLPP2ALDH1A1MEN1
SCHEMBL16838437 0.82 PTPN1 (0.42) ENPP2PTPN1PHLPP2ALDH1A1MEN1
SCHEMBL16838441 0.82 PHLPP2 (0.40) ENPP2PHLPP2ALDH1A1KDM4EMEN1
SCHEMBL16838480 0.82 ENPP2 (0.41) ENPP2PTPN1PHLPP2ALDH1A1HIF1A

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-9062208-B2 Fiber-reactive copper complex disazo dyes DYSTAR COLOURS DISTRIBUTION GMBH (DE) 2015-06-23 — — US disclosed
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