SCHEMBL21048817

SCHEMBL21048817

COc1cccc(S(=O)(=O)N(C)c2ccccc2CNC(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.54
KEAP1 Q14145 1/20 0.52
NFE2L2 Q16236 1/20 0.52
LMNA P02545 1/20 0.49
KMT2A Q03164 2/20 0.48
GLA P06280 1/20 0.48
PTGER1 P34995 1/20 0.48
TAS2R14 Q9NYV8 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
MEN1 O00255 1/20 0.44
HSD11B1 P28845 1/20 0.44
MEP1B Q16820 1/20 0.43

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
SCHEMBL21048953 0.87 LMNA (0.53) PGRKEAP1NFE2L2LMNAKMT2A
SCHEMBL21048781 0.87 C5AR1 (0.50) LMNAKMT2APTGER1MAPTGAA
Hydrochloric Acid SCHEMBL21048836 0.80 PGR (0.56) PGRKEAP1NFE2L2LMNATAS2R14
SCHEMBL17258875 0.79 KEAP1 (0.50) KEAP1NFE2L2KMT2AMAPTGAA
SCHEMBL17258893 0.76 ALDH1A1 (0.53) KMT2AGAAHPGDMEN1
SCHEMBL21048813 0.75 TP53 (0.41) KMT2APTGER1GAAHPGD
SCHEMBL21048834 0.75 TP53 (0.42) KMT2ASMN1; SMN2MAPTGAA
SCHEMBL21048892 0.74 PTGER1 (0.50) KEAP1NFE2L2PTGER1MAPTHPGD
SCHEMBL3462321 0.72 PGR (0.70) PGRLMNAKMT2ASMN1; SMN2MAPT
SCHEMBL17259042 0.71 PGR (0.57) PGRKEAP1NFE2L2TAS2R14HSD11B1

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