SCHEMBL5804016

SCHEMBL5804016

CNc1ccc2c(O)c(S(=O)(=O)O)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
RECQL P46063 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NSD2 O96028 2/20 0.43
NT5E P21589 2/20 0.43
DUSP3 P51452 1/20 0.43
PTPN5 P54829 1/20 0.43
CASP7 P55210 1/20 0.43
CASP6 P55212 1/20 0.43
PTPN11 Q06124 1/20 0.43
TNNI3 P19429 1/20 0.41
TNNT2 P45379 1/20 0.41
TNNC1 P63316 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
SCHEMBL10388656 0.90 HPGD (0.44) ALDH1A1TP53CYP3A4THRBHPGD
SCHEMBL11438339 0.83 PRMT1 (0.56) ALDH1A1CYP3A4NT5ECASP6TNNI3
SCHEMBL13556979 0.83 PRMT1 (0.42) ALDH1A1TP53CYP3A4THRBHPGD
SCHEMBL10568239 0.80 TNNI3 (0.66) ALDH1A1CYP3A4HPGDRECQLHSD17B10
SCHEMBL28065905 0.80 ALDH1A1 (0.54) ALDH1A1THRBHPGDALOX15HIF1A
SCHEMBL14339187 0.79 CASP6 (0.46) ALDH1A1TP53CYP3A4THRBHPGD
SCHEMBL15628292 0.78 PRMT1 (0.53) ALDH1A1THRBHIF1APRMT1PRMT3
SCHEMBL13818469 0.77 CASP6 (0.54) ALDH1A1TP53CYP3A4THRBHPGD
SCHEMBL11154841 0.77 PRMT1 (0.50) ALDH1A1TP53CYP3A4THRBHPGD
SCHEMBL10573597 0.77 HPGD (0.44) ALDH1A1TP53CYP3A4THRBHPGD

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
WO-2006091021-A1 ANTIBACTERIAL ACID DYBS CONTAINING SILVER AND METHOD OF PREPARING THE SAME AND ANTIBACTERIAL FIBER THEREBY KOLON INDUSTRIES, INC (KR) 2006-08-31 WO disclosed