SCHEMBL10388656

SCHEMBL10388656

CNc1ccc2ccc(S(=O)(=O)O)c(O)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
HIF1A Q16665 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
RECQL P46063 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
SCHEMBL5804016 0.90 ALDH1A1 (0.44) HPGDHIF1AHSD17B10ALDH1A1TP53
SCHEMBL15169995 0.80 TNNI3 (0.66) HPGDHSD17B10ALDH1A1CYP3A4RECQL
SCHEMBL8066094 0.78 MPL (0.49) HPGDHIF1AHSD17B10ALDH1A1NSD2
SCHEMBL13818469 0.77 CASP6 (0.54) HPGDHIF1AHSD17B10ALDH1A1TP53
SCHEMBL4651295 0.77 CASP6 (0.69) HPGDHIF1AHSD17B10ALDH1A1TP53
SCHEMBL11837949 0.77 TNNI3 (0.67) HPGDHIF1AHSD17B10ALDH1A1TP53
SCHEMBL2131894 0.76 ALDH1A1 (0.54) HPGDHIF1AHSD17B10ALDH1A1THRB
SCHEMBL9066446 0.75 NT5E (0.58) HPGDHSD17B10ALDH1A1CYP3A4THRB
SCHEMBL10573597 0.74 HPGD (0.44) HPGDHIF1AHSD17B10ALDH1A1TP53
SCHEMBL29074448 0.74 ALDH1A1 (0.47) HPGDHIF1AHSD17B10ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4918183-A Monoazo dyes, process for their preparation, and the use thereof CIBA-GEIGY CORPORATION (US) 1990-04-17 US disclosed
EP-0301350-A2 Disazo dyes BAYER AG (DE) 1989-02-01 EP disclosed
US-4602084-A Monoazo dyes containing a 4-substituted-2-azo-1,1'-diphenylsulfone component CIBA-GEIGY CORPORATION (US) 1986-07-22 US disclosed
US-4129736-A FIBER-REACTIVE CIBA-GEIGY CORPORATION (US) 1978-12-12 US disclosed
US-4079051-A 4-Halogeno-s-triazin-2-yl-phosphoramide acid containing reactive dyestuffs CIBA-GEIGY CORPORATION (US) 1978-03-14 US disclosed
US-4033944-A Fibre-reactive hydroxycycloalkenyl-halo triazinyl containing dyestuffs CIBA-GEIGY CORPORATION (US) 1977-07-05 US disclosed