SCHEMBL21048778

SCHEMBL21048778

COc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)c(CNC(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.40
MAPT P10636 1/20 0.40
EPHX2 P34913 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39

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
SCHEMBL21048810 0.86 GAA (0.47) GAATP53SMN1; SMN2ALDH1A1TSHR
SCHEMBL21048834 0.81 TP53 (0.42) GAATP53SMN1; SMN2MAPTEPHX2
SCHEMBL21048953 0.79 LMNA (0.53) SMN1; SMN2MAPTKEAP1NFE2L2
SCHEMBL21048892 0.77 PTGER1 (0.50) MAPTTSHRHPGDKEAP1NFE2L2
Hydrochloric Acid SCHEMBL21048912 0.76 ADRA1A (0.41) GAAALDH1A1HPGD
SCHEMBL3594266 0.75 MEN1 (0.47) GAAHSD17B10MAPTEPHX2ALDH1A1
SCHEMBL20957057 0.75 HSD17B10 (0.46) GAATP53HSD17B10MAPTEPHX2
SCHEMBL3127214 0.74 MEN1 (0.53) GAAEPHX2ALDH1A1TSHRPKM
SCHEMBL5968612 0.73 EPHX2 (0.46) GAAHSD17B10EPHX2ALDH1A1TSHR
SCHEMBL17258888 0.73 HSD17B10 (0.45) GAAHSD17B10MAPTEPHX2ALDH1A1

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
EP-3143021-B1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES PFIZER (US) 2019-06-12 EP disclosed