SCHEMBL16838447

SCHEMBL16838447

CNc1ccc2c(OC)c(/N=N/c3cc(S(=O)(=O)CCOS(=O)(=O)O)cc(S(=O)(=O)O)c3O)c(S(=O)(=O)O)cc2c1/N=N/c1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1S(=O)(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CD40 P25942 1/20 0.34
▸ CD40LG P29965 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ HIF1A Q16665 2/20 0.34
▸ ENPP2 Q13822 7/20 0.34
▸ THRB P10828 3/20 0.33
▸ TDP1 Q9NUW8 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ PHLPP2 Q6ZVD8 1/20 0.32
▸ P2RX5 Q93086 2/20 0.31
▸ P2RX4 Q99571 2/20 0.31
▸ P2RX2 Q9UBL9 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ PRMT1 Q99873 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.30
▸ MAPT P10636 2/20 0.30
▸ TP53 P04637 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ HPGD P15428 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
SCHEMBL16838423 0.93 PRMT1 (0.34) CD40CD40LGALDH1A1HIF1AENPP2
SCHEMBL16838449 0.92 ENPP2 (0.34) CD40CD40LGALDH1A1HIF1AENPP2
SCHEMBL18675864 0.90 CD40 (0.38) CD40CD40LGALDH1A1HIF1AENPP2
SCHEMBL16838457 0.90 CD40 (0.37) CD40CD40LGALDH1A1HIF1AENPP2
SCHEMBL16838455 0.89 ENPP2 (0.36) ALDH1A1ENPP2THRBTDP1MEN1
SCHEMBL16838434 0.88 ENPP2 (0.34) CD40CD40LGALDH1A1ENPP2THRB
SCHEMBL16838430 0.88 PTPN1 (0.40) ALDH1A1HIF1AENPP2THRBTDP1
SCHEMBL16838458 0.88 PRMT1 (0.40) CD40CD40LGALDH1A1HIF1AENPP2
SCHEMBL16838518 0.88 ENPP2 (0.34) CD40CD40LGALDH1A1ENPP2THRB
SCHEMBL16838479 0.88 ENPP2 (0.34) CD40CD40LGALDH1A1ENPP2THRB

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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