SCHEMBL16838452

SCHEMBL16838452

COc1c(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2O)c(S(=O)(=O)O)cc2c(/N=N/c3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3S(=O)(=O)O)c(NCS(=O)(=O)O)ccc12

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 5/20 0.33
▸ CD40 P25942 1/20 0.32
▸ CD40LG P29965 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ NSD2 O96028 1/20 0.31
▸ MMP14 P50281 1/20 0.31
▸ CASP6 P55212 1/20 0.31
▸ P2RX5 Q93086 1/20 0.31
▸ P2RX4 Q99571 1/20 0.31
▸ P2RX2 Q9UBL9 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ PRMT1 Q99873 1/20 0.30
▸ PTPN1 P18031 2/20 0.30
▸ KCNH2 Q12809 1/20 0.30

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
SCHEMBL16838477 0.95 PRMT1 (0.33) ENPP2CD40CD40LGMEN1KMT2A
SCHEMBL16838476 0.93 PTPN1 (0.34) ENPP2CD40CD40LGALDH1A1HIF1A
SCHEMBL16838424 0.93 ENPP2 (0.32) ENPP2CD40CD40LGMEN1KMT2A
SCHEMBL16838478 0.92 CYP1A2 (0.36) ENPP2CD40CD40LGALDH1A1HIF1A
SCHEMBL16838449 0.92 ENPP2 (0.34) ENPP2CD40CD40LGALDH1A1HIF1A
SCHEMBL16838451 0.92 ENPP2 (0.38) ENPP2CD40CD40LGALDH1A1HIF1A
SCHEMBL16838482 0.87 PRMT1 (0.36) ENPP2MEN1KMT2ATDP1PRMT1
SCHEMBL14388813 0.87 CD40 (0.36) ENPP2CD40CD40LGALDH1A1HIF1A
SCHEMBL16838423 0.86 PRMT1 (0.34) ENPP2CD40CD40LGALDH1A1HIF1A
SCHEMBL14346733 0.86 ENPP2 (0.40) ENPP2CD40CD40LGALDH1A1HIF1A

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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