SCHEMBL2559136

SCHEMBL2559136

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 7/20 0.44
▸ CA1 P00915 6/20 0.44
▸ CA9 Q16790 5/20 0.44
▸ CA4 P22748 1/20 0.44
▸ GAA P10253 2/20 0.41
▸ ALDH1A1 P00352 6/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ GBA1 P04062 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ CA7 P43166 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CA12 O43570 3/20 0.38
▸ CA3 P07451 1/20 0.38
▸ CA6 P23280 1/20 0.38
▸ CA5A P35218 1/20 0.38

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
SCHEMBL472526 0.82 GAA (0.43) CA2CA1CA9GAAALDH1A1
SCHEMBL9404416 0.79 CA12 (0.49) CA2CA1CA9GAAALDH1A1
SCHEMBL29950734 0.79 GAA (0.41) CA2CA1CA9CA4GAA
SCHEMBL11354319 0.78 GAA (0.39) CA2CA1CA9GAAALDH1A1
SCHEMBL10957173 0.78 ALDH1A1 (0.41) CA2CA1CA9GAAALDH1A1
SCHEMBL186606 0.77 CA12 (0.43) CA2CA9GAAALDH1A1KDM4E
SCHEMBL29956354 0.77 MCHR1 (0.44) CA2CA1CA9GAAALDH1A1
SCHEMBL77908 0.76 GAA (0.48) CA2CA1CA9GAAALDH1A1
SCHEMBL31106597 0.76 MCHR1 (0.47) CA2CA9GAAALDH1A1KDM4E
SCHEMBL31106589 0.76 MCHR1 (0.47) CA2CA9GAAALDH1A1KDM4E

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 7 patents. 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
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 — — US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 — — EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 — — EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 — — US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 — — EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 — — WO disclosed
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