SCHEMBL16838453

SCHEMBL16838453

CNc1ccc2c(O)c(/N=N/c3cc(S(=O)(=O)O)ccc3OC)c(S(=O)(=O)O)cc2c1/N=N/c1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 9/20 0.44
▸ PRMT1 Q99873 1/20 0.40
▸ CD40 P25942 1/20 0.39
▸ CD40LG P29965 1/20 0.39
▸ PHLPP2 Q6ZVD8 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ THRB P10828 1/20 0.34
▸ P2RX5 Q93086 1/20 0.34
▸ P2RX4 Q99571 1/20 0.34
▸ P2RX2 Q9UBL9 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
SCHEMBL18684946 0.98 ENPP2 (0.41) ENPP2PRMT1CD40CD40LGPHLPP2
SCHEMBL14388921 0.98 ENPP2 (0.41) ENPP2PRMT1CD40CD40LGPHLPP2
SCHEMBL18684967 0.95 ENPP2 (0.42) ENPP2PRMT1CD40CD40LGPHLPP2
SCHEMBL14388820 0.93 ENPP2 (0.40) ENPP2PRMT1CD40CD40LGPHLPP2
SCHEMBL16838421 0.92 PHLPP2 (0.39) ENPP2PRMT1CD40CD40LGPHLPP2
SCHEMBL14346733 0.91 ENPP2 (0.40) ENPP2PRMT1CD40CD40LGPHLPP2
SCHEMBL16838465 0.91 ENPP2 (0.40) ENPP2PRMT1CD40CD40LGPHLPP2
SCHEMBL18675864 0.91 CD40 (0.38) ENPP2PRMT1CD40CD40LGPHLPP2
SCHEMBL14388945 0.90 PTPN1 (0.42) ENPP2PRMT1CD40CD40LGPHLPP2
SCHEMBL14388816 0.89 CD40 (0.45) ENPP2PRMT1CD40CD40LGPHLPP2

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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