SCHEMBL16838522

SCHEMBL16838522

CNc1ccc2c(OC)c(/N=N/c3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3O)c(S(=O)(=O)O)cc2c1/N=N/c1ccccc1S(=O)(=O)CCOS(=O)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 4/20 0.37
▸ NSD2 O96028 1/20 0.35
▸ MMP14 P50281 1/20 0.35
▸ CASP6 P55212 1/20 0.35
▸ CYP1A2 P05177 4/20 0.35
▸ HIF1A Q16665 3/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ PTPRA P18433 1/20 0.35
▸ PTPRB P23467 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ RAPGEF4 Q8WZA2 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ THRB P10828 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ DNASE1L3 Q13609 1/20 0.33

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
SCHEMBL16838449 0.94 ENPP2 (0.34) ENPP2NSD2MMP14CASP6CYP1A2
SCHEMBL16838445 0.90 TDP1 (0.39) ENPP2NSD2MMP14CASP6HIF1A
SCHEMBL16838423 0.88 PRMT1 (0.34) ENPP2CYP1A2HIF1ACYP2C9TSHR
SCHEMBL16838479 0.88 ENPP2 (0.34) ENPP2NSD2MMP14CASP6HSD17B10
SCHEMBL16838502 0.88 PTPN1 (0.36) ENPP2NSD2MMP14CASP6HIF1A
SCHEMBL16838518 0.88 ENPP2 (0.34) ENPP2HSD17B10MEN1THRBKMT2A
SCHEMBL16838434 0.87 ENPP2 (0.34) ENPP2NSD2MMP14CASP6HSD17B10
SCHEMBL16838452 0.86 ENPP2 (0.33) ENPP2NSD2MMP14CASP6HIF1A
SCHEMBL16838447 0.86 CD40 (0.34) ENPP2CYP1A2HIF1ACYP2C19HSD17B10
SCHEMBL16838446 0.85 MPL (0.34) ENPP2CYP1A2HIF1ACYP2C9TSHR

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
Send feedback