SCHEMBL30916753

SCHEMBL30916753

NC/C(=C\F)COc1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cn1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AOC2 O75106 12/20 0.51
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ MAOA P21397 5/20 0.45
▸ LMNA P02545 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ TNF P01375 1/20 0.44
▸ STAT3 P40763 1/20 0.44
▸ NOD2 Q9HC29 1/20 0.44
▸ NOD1 Q9Y239 1/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ MAOB P27338 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
SCHEMBL24025546 1.00 AOC2 (0.51) AOC2KDM4EALDH1A1MAOALMNA
SCHEMBL24057984 1.00 AOC2 (0.51) AOC2KDM4EALDH1A1MAOALMNA
SCHEMBL24058217 0.92 KMT2A (0.53) AOC2ALDH1A1MAOALMNASMN1; SMN2
SCHEMBL24025501 0.92 KMT2A (0.53) AOC2ALDH1A1MAOALMNASMN1; SMN2
SCHEMBL24025477 0.90 AOC2 (0.58) AOC2ALDH1A1MAOAMAOB
SCHEMBL24025660 0.90 AOC2 (0.51) AOC2MAOAMAOB
SCHEMBL24058359 0.90 AOC2 (0.58) AOC2ALDH1A1MAOAMAOB
SCHEMBL24025499 0.89 AOC2 (0.52) AOC2MAOAMAOB
SCHEMBL23779179 0.89 AOC2 (0.52) AOC2MAOAMAOB
SCHEMBL23779177 0.89 AOC2 (0.52) AOC2MAOAMAOB

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-112955215-B Pyridylsulfonamide derivatives, pharmaceutical compositions and uses thereof 勃林格殷格翰国际有限公司 2024-05-17 — — CN disclosed
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