SCHEMBL8568600

SCHEMBL8568600

C=CS(=O)(=O)N(C(=O)c1ccccc1)c1ccc2cc(S(=O)(=O)O)cc(O)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 3/20 0.54
CASP6 P55212 4/20 0.48
DUSP3 P51452 2/20 0.48
PTPN5 P54829 2/20 0.48
PTPN11 Q06124 2/20 0.48
CASP7 P55210 1/20 0.48
NT5E P21589 2/20 0.45
APEX1 P27695 1/20 0.41
CYP2C9 P11712 5/20 0.39
CYP2C19 P33261 4/20 0.39
HSD17B10 Q99714 3/20 0.39
ALDH1A1 P00352 3/20 0.39
PRMT1 Q99873 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.35
SNCA P37840 1/20 0.34
CYP1A2 P05177 3/20 0.34
HIF1A Q16665 2/20 0.34
TSHR P16473 1/20 0.34
PTPRA P18433 1/20 0.34
PTPRB P23467 1/20 0.34

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
SCHEMBL8562864 0.91 PRMT1 (0.45) NSD2CASP6DUSP3PTPN5PTPN11
SCHEMBL8571226 0.82 NSD2 (0.51) NSD2CASP6DUSP3PTPN5PTPN11
SCHEMBL8562288 0.80 APEX1 (0.51) NSD2CASP6DUSP3PTPN5PTPN11
SCHEMBL8570259 0.77 APEX1 (0.41) NSD2CASP6DUSP3PTPN5PTPN11
SCHEMBL7787913 0.75 NSD2 (0.63) NSD2CASP6DUSP3PTPN5PTPN11
SCHEMBL8566322 0.73 PRMT1 (0.43) NSD2CASP6DUSP3PTPN5PTPN11
SCHEMBL10393721 0.72 NSD2 (0.74) NSD2CASP6DUSP3PTPN5PTPN11
SCHEMBL8109724 0.72 NT5E (0.74) NSD2CASP6DUSP3PTPN5PTPN11
SCHEMBL1377131 0.71 NSD2 (1.00) NSD2CASP6DUSP3PTPN5PTPN11
SCHEMBL8566004 0.70 NSD2 (0.36) NSD2CYP2C19ALDH1A1PRMT1CTDSP1

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-5834601-A DYEING CELLULOSE, WOOL, POLYAMIDE DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 1998-11-10 US disclosed