SCHEMBL29956135

SCHEMBL29956135

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.43
LMNA P02545 3/20 0.42
ALDH1A1 P00352 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
BCHE P06276 2/20 0.42
ACHE P22303 2/20 0.42
KMT2A Q03164 4/20 0.41
MAPT P10636 3/20 0.41
TP53 P04637 2/20 0.41
CYP3A4 P08684 2/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CNR2 P34972 1/20 0.40

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
SCHEMBL29956006 0.92 GAA (0.45) LMNAALDH1A1BCHEACHEMAPT
SCHEMBL29954990 0.87 GAA (0.38) UTS2RLMNAALDH1A1RXFP1BCHE
SCHEMBL4799859 0.84 ALDH1A1 (0.42) ALDH1A1BCHEACHEKMT2AMAPT
SCHEMBL4802706 0.84 RAPGEF4 (0.39) LMNAALDH1A1BCHEACHEKMT2A
SCHEMBL992209 0.84 ACHE (0.42) LMNAALDH1A1BCHEACHEKMT2A
SCHEMBL408195 0.83 NPY2R (0.47) LMNAALDH1A1BCHEACHEKMT2A
SCHEMBL9986171 0.83 MAPT (0.39) LMNAALDH1A1BCHEACHEKMT2A
SCHEMBL5653976 0.83 PTGS2 (0.41) LMNAKMT2ATP53MEN1SMN1; SMN2
SCHEMBL30716683 0.83 PTGS2 (0.41) LMNAKMT2ATP53MEN1SMN1; SMN2
SCHEMBL5851624 0.82 MAPT (0.44) LMNAALDH1A1KMT2AMAPTTP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111936496-B Heterocyclic compounds useful as medicaments 马萨里克大学 2023-12-29 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed