SCHEMBL29950734

SCHEMBL29950734

[C-]#[N+]C(Cc1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ BCHE P06276 3/20 0.39
▸ ACHE P22303 3/20 0.39
▸ CA2 P00918 4/20 0.38
▸ CA7 P43166 3/20 0.38
▸ CA1 P00915 3/20 0.38
▸ CA9 Q16790 3/20 0.38
▸ CA12 O43570 2/20 0.38
▸ CA3 P07451 1/20 0.38
▸ CA6 P23280 1/20 0.38
▸ CA5A P35218 1/20 0.38
▸ CA5B Q9Y2D0 1/20 0.38
▸ CA4 P22748 1/20 0.37

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
SCHEMBL29951413 0.92 EGFR (0.45) GAAALDH1A1MEN1KMT2ATDP1
SCHEMBL29955878 0.92 ACHE (0.49) ALDH1A1MEN1KMT2ABCHEACHE
SCHEMBL29958124 0.92 BCHE (0.49) GAAALDH1A1MEN1KMT2ABCHE
SCHEMBL1307134 0.92 CA2 (0.48) GAAALDH1A1MEN1KMT2ACYP3A4
SCHEMBL29950921 0.89 BCHE (0.52) GAAALDH1A1MEN1KMT2ABCHE
SCHEMBL29950877 0.89 BCHE (0.52) ALDH1A1KMT2ABCHEACHECA2
SCHEMBL29957305 0.85 CYP19A1 (0.42) GAAALDH1A1TDP1CYP3A4CYP2C19
SCHEMBL472526 0.82 GAA (0.43) GAAALDH1A1MEN1KMT2ACYP3A4
SCHEMBL29955518 0.81 EGFR (0.49) ALDH1A1MEN1KMT2ACYP3A4BCHE
SCHEMBL29954466 0.81 PNMT (0.44) ALDH1A1TDP1CYP3A4CYP2C19BCHE

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
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