SCHEMBL18684952

SCHEMBL18684952

CNc1ccc2c(O)c(/N=N/c3cc(S(=O)(=O)CCOS(=O)(=O)O)cc(S(=O)(=O)O)c3OC)c(S(=O)(=O)O)cc2c1/N=N/c1cc(C)c(S(=O)(=O)CCOS(=O)(=O)O)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 9/20 0.41
▸ PTPN1 P18031 2/20 0.40
▸ PHLPP2 Q6ZVD8 1/20 0.36
▸ PRMT1 Q99873 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ APEX1 P27695 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ BRCA1 P38398 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SLC10A1 Q14973 1/20 0.31

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
SCHEMBL18684951 0.94 ENPP2 (0.39) ENPP2PTPN1PHLPP2PRMT1ALDH1A1
SCHEMBL14388945 0.92 PTPN1 (0.42) ENPP2PTPN1PHLPP2PRMT1ALDH1A1
SCHEMBL16838430 0.91 PTPN1 (0.40) ENPP2PTPN1PHLPP2PRMT1ALDH1A1
SCHEMBL16838437 0.91 PTPN1 (0.42) ENPP2PTPN1PHLPP2PRMT1ALDH1A1
SCHEMBL18675864 0.88 CD40 (0.38) ENPP2PHLPP2PRMT1ALDH1A1MEN1
SCHEMBL16838465 0.86 ENPP2 (0.40) ENPP2PTPN1PHLPP2PRMT1ALDH1A1
SCHEMBL18684967 0.86 ENPP2 (0.42) ENPP2PTPN1PHLPP2PRMT1ALDH1A1
SCHEMBL16838421 0.86 PHLPP2 (0.39) ENPP2PTPN1PHLPP2PRMT1ALDH1A1
SCHEMBL16838455 0.85 ENPP2 (0.36) ENPP2PTPN1PHLPP2PRMT1ALDH1A1
SCHEMBL14346573 0.85 PTPN1 (0.40) ENPP2PTPN1PHLPP2PRMT1ALDH1A1

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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