SCHEMBL16838449

SCHEMBL16838449

CNc1ccc2c(OC)c(/N=N/c3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3O)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
▸ ENPP2 Q13822 8/20 0.34
▸ CD40 P25942 1/20 0.34
▸ CD40LG P29965 1/20 0.34
▸ HIF1A Q16665 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ NSD2 O96028 1/20 0.33
▸ MMP14 P50281 1/20 0.33
▸ CASP6 P55212 1/20 0.33
▸ P2RX5 Q93086 1/20 0.32
▸ P2RX4 Q99571 1/20 0.32
▸ P2RX2 Q9UBL9 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ PRMT1 Q99873 1/20 0.32
▸ PTPN1 P18031 2/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ TSHR P16473 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
SCHEMBL16838423 0.94 PRMT1 (0.34) ENPP2CD40CD40LGHIF1AALDH1A1
SCHEMBL16838522 0.94 ENPP2 (0.37) ENPP2HIF1AALDH1A1NSD2MMP14
SCHEMBL16838434 0.93 ENPP2 (0.34) ENPP2CD40CD40LGALDH1A1NSD2
SCHEMBL16838445 0.93 TDP1 (0.39) ENPP2HIF1AALDH1A1NSD2MMP14
SCHEMBL16838479 0.92 ENPP2 (0.34) ENPP2CD40CD40LGALDH1A1NSD2
SCHEMBL16838518 0.92 ENPP2 (0.34) ENPP2CD40CD40LGALDH1A1MEN1
SCHEMBL16838502 0.92 PTPN1 (0.36) ENPP2CD40CD40LGHIF1AALDH1A1
SCHEMBL16838452 0.92 ENPP2 (0.33) ENPP2CD40CD40LGHIF1AALDH1A1
SCHEMBL16838447 0.92 CD40 (0.34) ENPP2CD40CD40LGHIF1AALDH1A1
SCHEMBL16838446 0.88 MPL (0.34) ENPP2HIF1AALDH1A1P2RX2MEN1

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 3 patents. 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
EP-2391683-B1 FIBER-REACTIVE COPPER COMPLEX DISAZO DYES DYSTAR COLOURS DISTRIB GMBH (DE) 2017-03-29 — — EP disclosed
US-9062208-B2 Fiber-reactive copper complex disazo dyes DYSTAR COLOURS DISTRIBUTION GMBH (DE) 2015-06-23 — — US disclosed
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