SCHEMBL27532003

SCHEMBL27532003

Cc1cc(S(C)(=O)=O)cc(S(=O)(=O)Oc2cccc(O)c2O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
ESR1 P03372 3/20 0.51
ESR2 Q92731 3/20 0.51
GAA P10253 2/20 0.51
HSD11B1 P28845 1/20 0.43
HSD17B3 P37058 1/20 0.43
MAPK1 P28482 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP3A4 P08684 2/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
HSD17B10 Q99714 1/20 0.39
F2 P00734 2/20 0.38
HTR6 P50406 2/20 0.38

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
SCHEMBL5360886 0.80 KMT2A (0.75) MEN1KMT2AESR1ESR2GAA
SCHEMBL28744253 0.80 MEN1 (0.41) MEN1KMT2AESR1ESR2GAA
SCHEMBL5372781 0.78 MEN1 (0.48) MEN1KMT2AESR1ESR2GAA
SCHEMBL28741143 0.77 MEN1 (0.47) MEN1KMT2AESR1ESR2GAA
SCHEMBL5366223 0.75 HSD11B1 (0.55) MEN1KMT2AESR1ESR2GAA
SCHEMBL19125575 0.74 KMT2A (0.50) MEN1KMT2AESR1ESR2GAA
SCHEMBL3480009 0.72 ALDH1A1 (0.54) MEN1KMT2AESR1ESR2GAA
SCHEMBL5360980 0.72 GAA (0.55) MEN1KMT2AESR1ESR2GAA
SCHEMBL13605945 0.70 KMT2A (0.64) MEN1KMT2AESR1ESR2GAA
SCHEMBL6058028 0.70 KMT2A (0.52) MEN1KMT2AESR1ESR2GAA

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
CN-1237961-A Aminoguanidines and alkoxyguanidines as protease inhibitors DIMENSIONAL PHARM INC (US) 1999-12-08 CN disclosed