SCHEMBL18684967

SCHEMBL18684967

CNc1ccc2c(O)c(/N=N/c3cc(S(=O)(=O)CCOS(=O)(=O)O)ccc3OC)c(S(=O)(=O)O)cc2c1/N=N/c1cc(S(=O)(=O)CCOS(=O)(=O)O)ccc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 8/20 0.42
▸ PRMT1 Q99873 1/20 0.39
▸ PHLPP2 Q6ZVD8 1/20 0.39
▸ TDP1 Q9NUW8 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PTPN1 P18031 2/20 0.36
▸ CD40 P25942 1/20 0.35
▸ CD40LG P29965 1/20 0.35
▸ CA2 P00918 1/20 0.34
▸ CA3 P07451 1/20 0.34
▸ THRB P10828 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TP53 P04637 1/20 0.34

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
SCHEMBL14388820 0.97 ENPP2 (0.40) ENPP2PRMT1PHLPP2TDP1KDM4E
SCHEMBL14388921 0.97 ENPP2 (0.41) ENPP2PRMT1PHLPP2TDP1KDM4E
SCHEMBL18684946 0.97 ENPP2 (0.41) ENPP2PRMT1PHLPP2TDP1KDM4E
SCHEMBL16838465 0.95 ENPP2 (0.40) ENPP2PRMT1PHLPP2TDP1KDM4E
SCHEMBL16838453 0.95 ENPP2 (0.44) ENPP2PRMT1PHLPP2TDP1KDM4E
SCHEMBL16838507 0.90 PRMT1 (0.41) ENPP2PRMT1PHLPP2TDP1KDM4E
SCHEMBL16838463 0.90 PHLPP2 (0.42) ENPP2PRMT1PHLPP2TDP1KDM4E
SCHEMBL16838421 0.90 PHLPP2 (0.39) ENPP2PRMT1PHLPP2TDP1KDM4E
SCHEMBL16838445 0.89 TDP1 (0.39) ENPP2PRMT1PHLPP2TDP1KDM4E
SCHEMBL14346733 0.89 ENPP2 (0.40) ENPP2PRMT1PHLPP2TDP1KDM4E

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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