SCHEMBL8566322

SCHEMBL8566322

O=C(c1ccccc1)N(c1ccc2c(O)cc(S(=O)(=O)O)cc2c1)S(=O)(=O)CCCl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 2/20 0.43
CASP6 P55212 4/20 0.43
NSD2 O96028 3/20 0.43
DUSP3 P51452 2/20 0.43
PTPN5 P54829 2/20 0.43
PTPN11 Q06124 2/20 0.43
CTDSP1 Q9GZU7 1/20 0.40
APEX1 P27695 1/20 0.39
CASP7 P55210 1/20 0.38
NT5E P21589 2/20 0.35
SIRT1 Q96EB6 1/20 0.32
HSD11B1 P28845 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
HSD17B10 Q99714 2/20 0.32
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31
PTPRA P18433 1/20 0.31
PTPRB P23467 1/20 0.31

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
SCHEMBL8571226 0.92 NSD2 (0.51) PRMT1CASP6NSD2DUSP3PTPN5
SCHEMBL8562864 0.82 PRMT1 (0.45) PRMT1CASP6NSD2DUSP3PTPN5
SCHEMBL10384211 0.79 NSD2 (0.52) PRMT1CASP6NSD2DUSP3PTPN5
SCHEMBL10405723 0.77 NSD2 (0.43) PRMT1CASP6NSD2DUSP3PTPN5
SCHEMBL8568600 0.73 NSD2 (0.54) PRMT1CASP6NSD2DUSP3PTPN5
SCHEMBL9818205 0.71 NSD2 (0.53) PRMT1CASP6NSD2DUSP3PTPN5
SCHEMBL6560049 0.70 CASP6 (0.59) PRMT1CASP6NSD2DUSP3PTPN5
SCHEMBL10382689 0.70 NSD2 (0.66) PRMT1CASP6NSD2DUSP3PTPN5
SCHEMBL27138366 0.69 NSD2 (0.78) PRMT1CASP6NSD2DUSP3PTPN5
SCHEMBL10587363 0.69 PRMT1 (0.48) PRMT1CASP6NSD2DUSP3PTPN5

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