SCHEMBL10448653

SCHEMBL10448653

Nc1ccc(/N=N/c2ccc(/N=N/c3ccc4ccc(S(=O)(=O)O)cc4c3S(=O)(=O)O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 3/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ PHLPP2 Q6ZVD8 1/20 0.51
▸ ENPP2 Q13822 1/20 0.47
▸ SENP2 Q9HC62 5/20 0.46
▸ SENP3 Q9H4L4 4/20 0.46
▸ SENP1 Q9P0U3 4/20 0.46
▸ SUMO2 P61956 3/20 0.46
▸ SUMO1 P63165 3/20 0.46
▸ SENP7 Q9BQF6 3/20 0.46
▸ CA12 O43570 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ CASP6 P55212 1/20 0.44
▸ SLC7A11 Q9UPY5 1/20 0.44
▸ NT5E P21589 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ RPS6KA3 P51812 1/20 0.43

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
SCHEMBL9176694 1.00 CYP2C9 (0.52) CYP2C9CYP2C19HSD17B10PHLPP2ENPP2
SCHEMBL9179820 0.91 SENP2 (0.51) CYP2C9CYP2C19HSD17B10PHLPP2ENPP2
SCHEMBL10448719 0.91 SENP2 (0.51) CYP2C9CYP2C19HSD17B10PHLPP2ENPP2
SCHEMBL10448650 0.81 SENP2 (0.47) CYP2C9CYP2C19HSD17B10PHLPP2ENPP2
SCHEMBL9176345 0.81 SENP2 (0.47) CYP2C9CYP2C19HSD17B10PHLPP2ENPP2
SCHEMBL9176573 0.81 SENP2 (0.47) CYP2C9CYP2C19HSD17B10PHLPP2ENPP2
SCHEMBL6946362 0.80 CA12 (0.57) CYP2C9CYP2C19HSD17B10PHLPP2ENPP2
SCHEMBL10448357 0.80 ENPP2 (0.53) CYP2C9CYP2C19HSD17B10PHLPP2ENPP2
SCHEMBL9175136 0.80 ENPP2 (0.53) CYP2C9CYP2C19HSD17B10PHLPP2ENPP2
SCHEMBL8754086 0.79 CA12 (0.54) CYP2C9CYP2C19HSD17B10PHLPP2ENPP2

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
EP-0400648-A1 Polyazo dye compounds having plural vinylsulfone type fiber reactive groups in one molecule SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-12-05 — — EP disclosed
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