SCHEMBL27676540

SCHEMBL27676540

NCc1ccc(S(=O)(=O)Nc2ccc3cc(S(=O)(=O)O)cc(O)c3c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 2/20 0.57
CASP6 P55212 4/20 0.54
NSD2 O96028 3/20 0.54
DUSP3 P51452 2/20 0.54
PTPN5 P54829 2/20 0.54
PTPN11 Q06124 2/20 0.54
CASP7 P55210 1/20 0.54
HTR6 P50406 1/20 0.46
PRMT1 Q99873 1/20 0.45
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GHSR Q92847 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL10823372 0.86 NT5E (0.66) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL1413066 0.84 NT5E (0.57) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL8100276 0.84 NSD2 (0.71) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL10823488 0.83 PRMT1 (0.64) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL8440189 0.81 NT5E (0.70) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL10823705 0.80 NT5E (0.53) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL27658309 0.79 NT5E (0.49) NT5EHTR6HSP90AA1HSP90AB1ALDH1A1
SCHEMBL10823476 0.77 PRMT1 (0.62) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL8110465 0.77 CASP6 (0.64) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL12920165 0.76 NT5E (0.72) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1965125-B Method for the reactive coloration of leather BASF AG 2010-06-09 CN disclosed
CN-1965125-A Method for the reactive coloration of leather BASF AG (DE) 2007-05-16 CN disclosed
CN-1875144-A Reactive colouring of leather BASF AG (DE) 2006-12-06 CN disclosed