SCHEMBL8570259

SCHEMBL8570259

C=CS(=O)(=O)N(C(=O)c1ccccc1)c1ccc(S(=O)(=O)O)c2cc(S(=O)(=O)O)cc(O)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.41
TIMP3 P35625 4/20 0.38
KMT2A Q03164 4/20 0.38
HSD17B10 Q99714 3/20 0.38
MEN1 O00255 3/20 0.38
ALDH1A1 P00352 3/20 0.38
USP2 O75604 2/20 0.38
RECQL P46063 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
NSD2 O96028 3/20 0.35
DUSP3 P51452 1/20 0.35
PTPN5 P54829 1/20 0.35
CASP7 P55210 1/20 0.35
CASP6 P55212 1/20 0.35
PTPN11 Q06124 1/20 0.35
HPSE Q9Y251 4/20 0.34
CYP1A2 P05177 3/20 0.34
CYP2C9 P11712 2/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 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
SCHEMBL8562288 0.83 APEX1 (0.51) APEX1KMT2AHSD17B10MEN1ALDH1A1
SCHEMBL8568600 0.77 NSD2 (0.54) APEX1KMT2AHSD17B10MEN1ALDH1A1
SCHEMBL8562864 0.75 PRMT1 (0.45) APEX1HSD17B10ALDH1A1NSD2DUSP3
SCHEMBL9784325 0.74 APEX1 (0.38) APEX1TIMP3KMT2AHSD17B10MEN1
SCHEMBL30818027 0.71 APEX1 (0.66) APEX1TIMP3KMT2AHSD17B10MEN1
SCHEMBL4649703 0.71 APEX1 (0.66) APEX1TIMP3KMT2AHSD17B10MEN1
SCHEMBL3218379 0.70 NT5E (0.46) APEX1TIMP3KMT2AHSD17B10MEN1
Aniline SCHEMBL10587235 0.68 AURKA (0.57) APEX1KMT2AHSD17B10MEN1ALDH1A1
SCHEMBL10913626 0.68 TIMP3 (0.48) APEX1TIMP3KMT2AHSD17B10MEN1
SCHEMBL9768417 0.68 APEX1 (0.45) APEX1TIMP3KMT2AHSD17B10MEN1

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