SCHEMBL29954990

SCHEMBL29954990

[C-]#[N+]C(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
PSEN1 P49768 5/20 0.35
PSEN2 P49810 5/20 0.35
APH1B Q8WW43 5/20 0.35
NCSTN Q92542 5/20 0.35
APH1A Q96BI3 5/20 0.35

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
SCHEMBL5851624 0.88 MAPT (0.44) GAAALDH1A1LMNAPGRSMN1; SMN2
SCHEMBL29952039 0.88 MAPT (0.44) GAAALDH1A1LMNAPGRSMN1; SMN2
SCHEMBL29956135 0.87 UTS2R (0.43) GAAALDH1A1LMNARXFP1BCHE
SCHEMBL29956006 0.84 GAA (0.45) GAAALDH1A1LMNACA12CA1
SCHEMBL9986171 0.83 MAPT (0.39) GAAALDH1A1LMNABCHEACHE
SCHEMBL30716683 0.83 PTGS2 (0.41) LMNAPSEN1PSEN2APH1BNCSTN
SCHEMBL5653976 0.83 PTGS2 (0.41) LMNAPSEN1PSEN2APH1BNCSTN
SCHEMBL29954673 0.81 GAA (0.38) GAAALDH1A1LMNACA12CA1
SCHEMBL29955570 0.81 GAA (0.38) GAAALDH1A1LMNACA12CA1
SCHEMBL5852069 0.80 PTGS2 (0.41) GAAALDH1A1LMNACA12CA1

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