SCHEMBL16838425

SCHEMBL16838425

CNc1ccc2c(O)c(/N=N/c3cc(OC)c(S(=O)(=O)CCOS(=O)(=O)O)cc3OC)c(S(=O)(=O)O)cc2c1/N=N/c1ccccc1S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHLPP2 Q6ZVD8 1/20 0.41
▸ ENPP2 Q13822 6/20 0.40
▸ MAPK1 P28482 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MPL P40238 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ PTPN1 P18031 2/20 0.34
▸ FUT8 Q9BYC5 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ BRCA1 P38398 1/20 0.33

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
SCHEMBL16838484 0.91 PHLPP2 (0.40) PHLPP2ENPP2MAPK1ALDH1A1MEN1
SCHEMBL16838421 0.91 PHLPP2 (0.39) PHLPP2ENPP2MAPK1ALDH1A1MEN1
SCHEMBL16838465 0.90 ENPP2 (0.40) PHLPP2ENPP2MAPK1ALDH1A1MEN1
SCHEMBL16838464 0.90 ENPP2 (0.40) PHLPP2ENPP2MAPK1ALDH1A1MEN1
SCHEMBL16838438 0.89 ENPP2 (0.38) PHLPP2ENPP2MAPK1ALDH1A1MEN1
SCHEMBL18684951 0.88 ENPP2 (0.39) PHLPP2ENPP2MAPK1ALDH1A1MEN1
SCHEMBL16838431 0.87 PHLPP2 (0.37) PHLPP2ENPP2MAPK1ALDH1A1MEN1
SCHEMBL16838504 0.86 PHLPP2 (0.43) PHLPP2ENPP2MAPK1ALDH1A1MEN1
SCHEMBL18684945 0.86 PTPN1 (0.41) PHLPP2ENPP2MAPK1ALDH1A1MEN1
SCHEMBL16838467 0.85 ENPP2 (0.46) PHLPP2ENPP2MAPK1ALDH1A1MEN1

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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