SCHEMBL9874089

SCHEMBL9874089

Nc1c(C(=O)c2ccccc2)ccc2c(O)cc(S(=O)(=O)O)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 4/20 0.46
NSD2 O96028 2/20 0.46
DUSP3 P51452 2/20 0.46
PTPN5 P54829 2/20 0.46
PTPN11 Q06124 2/20 0.46
CTDSP1 Q9GZU7 1/20 0.44
KMT2A Q03164 2/20 0.43
GAA P10253 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
CASP7 P55210 1/20 0.43
PRMT1 Q99873 1/20 0.43
NT5E P21589 2/20 0.43
ALDH1A1 P00352 5/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 2/20 0.42
APEX1 P27695 1/20 0.41
HSD17B10 Q99714 3/20 0.39

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
SCHEMBL27425328 0.86 CASP6 (0.45) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL9461718 0.81 CASP6 (0.50) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL27481027 0.79 KMT2A (0.51) KMT2AGAAMEN1USP2KEAP1
SCHEMBL1705399 0.78 KMT2A (0.64) KMT2AGAAMEN1USP2KEAP1
SCHEMBL13730299 0.77 CASP6 (0.49) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL11669819 0.76 HKDC1 (0.48) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL4881379 0.75 CASP6 (0.57) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL987611 0.74 ALDH1A1 (0.65) KMT2AGAAMEN1USP2KEAP1
SCHEMBL6205724 0.74 CASP6 (0.55) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL1413155 0.73 HSD17B10 (0.54) CASP6NSD2DUSP3PTPN5PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5037449-A For dyeing or printing cotton or wool CIBA-GEIGY CORPORATION (US) 1991-08-06 US disclosed
EP-0304924-A2 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1989-03-01 EP disclosed