SCHEMBL10580903

SCHEMBL10580903

NCCNc1ccc2cc(S(=O)(=O)O)cc(O)c2c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NT5E P21589 3/20 0.64
CASP6 P55212 4/20 0.60
NSD2 O96028 3/20 0.60
DUSP3 P51452 2/20 0.60
PTPN5 P54829 2/20 0.60
PTPN11 Q06124 2/20 0.60
CASP7 P55210 1/20 0.60
PRMT1 Q99873 3/20 0.50
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.45
SNCA P37840 2/20 0.40
ENPP2 Q13822 2/20 0.40
HTR6 P50406 2/20 0.38
SIRT1 Q96EB6 1/20 0.36
EGFR P00533 1/20 0.36
IDO1 P14902 1/20 0.36

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
SCHEMBL8947660 0.90 PRMT1 (0.62) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL8377060 0.88 CASP6 (0.61) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL10891672 0.86 CASP6 (0.60) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL9342332 0.86 CASP6 (0.60) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL9789237 0.86 NT5E (0.67) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL10584051 0.86 SNCA (0.54) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL10585258 0.84 SNCA (0.49) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL10893977 0.84 CASP6 (0.57) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL8976324 0.84 CASP6 (0.61) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL9306981 0.84 CASP6 (0.57) NT5ECASP6NSD2DUSP3PTPN5

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4841030-A Azo reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1989-06-20 US disclosed
US-4556707-A DYEING CELLULOSE FIBERS AND POLYAMIDE FIBERS BAYER AKTIENGESELLSCHAFT (DE) 1985-12-03 US disclosed
US-4540776-A Reactive fluorotriazinylaminonaphthotriazolyphenylazopyridone or pyrimidone dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1985-09-10 US disclosed
EP-0043465-B1 REACTIVE DYESTUFFS AND THEIR USE IN DYEING AND PRINTING FIBRE MATERIALS CONTAINING HYDROXYLE GROUPS OR NITROGEN BAYER AG (DE) 1984-05-16 EP disclosed
US-4354968-A Azo reactive dyestuffs having an aryl-triazinyl-aryl diazo component BAYER AKTIENGESELLSCHAFT (DE) 1982-10-19 US disclosed
EP-0043465-A2 Reactive dyestuffs and their use in dyeing and printing fibre materials containing hydroxyle groups or nitrogen BAYER AG (DE) 1982-01-13 EP disclosed
US-4089895-A COUPLER FOR AZO DYES BAYER AKTIENGESELLSCHAFT (DT) 1978-05-16 US disclosed