SCHEMBL29160482

SCHEMBL29160482

Cc1ccc(S(=O)(=O)O)c(CC(F)C(F)F)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 2/20 0.33
NR3C2 P08235 2/20 0.33
PGR P06401 1/20 0.33
LMNA P02545 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALOX15 P16050 1/20 0.33
MEP1B Q16820 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
RECQL P46063 1/20 0.33
CASP6 P55212 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL29190222 0.90 NR3C1 (0.32) NR3C1NR3C2PGRLMNAALDH1A1
SCHEMBL2537398 0.87 NR3C1 (0.35) NR3C1NR3C2PGRLMNAALDH1A1
SCHEMBL9950522 0.86 LMNA (0.36) NR3C1NR3C2PGRLMNAALDH1A1
SCHEMBL30666800 0.82 LMNA (0.38) NR3C1NR3C2PGRLMNAALDH1A1
SCHEMBL17460403 0.82 LMNA (0.38) NR3C1NR3C2PGRLMNAALDH1A1
SCHEMBL4753902 0.82 ALOX15 (0.38) NR3C1NR3C2PGRLMNAALDH1A1
SCHEMBL2337806 0.82 ALDH1A1 (0.38) NR3C1NR3C2PGRLMNAALDH1A1
SCHEMBL10646190 0.82 ALDH1A1 (0.38) NR3C1NR3C2PGRLMNAALDH1A1
SCHEMBL1972754 0.81 NR3C1 (0.39) NR3C1NR3C2PGRLMNAALDH1A1
SCHEMBL1941890 0.81 LMNA (0.37) NR3C1NR3C2PGRLMNAALDH1A1

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-117083272-A 4-alkoxy-6-oxo-pyridazine derivatives that modulate NLRP3 詹森药业有限公司 2023-11-17 CN disclosed