SCHEMBL18684945

SCHEMBL18684945

CNc1ccc2c(O)c(/N=N/c3cc(OC)c(S(=O)(=O)CCOS(=O)(=O)O)cc3OC)c(S(=O)(=O)O)cc2c1/N=N/c1ccc2cc(S(=O)(=O)CCOS(=O)(=O)O)ccc2c1S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.41
▸ ENPP2 Q13822 9/20 0.39
▸ PHLPP2 Q6ZVD8 1/20 0.38
▸ CD40 P25942 1/20 0.34
▸ CD40LG P29965 1/20 0.34
▸ PRMT1 Q99873 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ THRB P10828 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ MAPT P10636 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

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
SCHEMBL16838421 0.92 PHLPP2 (0.39) PTPN1ENPP2PHLPP2CD40CD40LG
SCHEMBL16838465 0.91 ENPP2 (0.40) PTPN1ENPP2PHLPP2CD40CD40LG
SCHEMBL16838464 0.90 ENPP2 (0.40) PTPN1ENPP2PHLPP2CD40CD40LG
SCHEMBL16838438 0.87 ENPP2 (0.38) PTPN1ENPP2PHLPP2CD40CD40LG
SCHEMBL18684951 0.87 ENPP2 (0.39) PTPN1ENPP2PHLPP2CD40CD40LG
SCHEMBL16838484 0.86 PHLPP2 (0.40) PTPN1ENPP2PHLPP2CD40CD40LG
SCHEMBL18684967 0.86 ENPP2 (0.42) PTPN1ENPP2PHLPP2CD40CD40LG
SCHEMBL14388945 0.86 PTPN1 (0.42) PTPN1ENPP2PHLPP2CD40CD40LG
SCHEMBL16838425 0.86 PHLPP2 (0.41) PTPN1ENPP2PHLPP2CD40CD40LG
SCHEMBL14388921 0.85 ENPP2 (0.41) PTPN1ENPP2PHLPP2CD40CD40LG

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
WO-2017050597-A1 MIXTURES OF FIBRE-REACTIVE DYES DYSTAR COLOURS DISTRIBUTION GMBH (DE) 2017-03-30 — — WO disclosed
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