SCHEMBL29932015

SCHEMBL29932015

CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)n1ccn(C2CCN(c3ccc(Cl)cc3F)CC2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.35
TP53 P04637 2/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
F10 P00742 7/20 0.34
DRD2 P14416 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTR6 P50406 1/20 0.34
CNR2 P34972 2/20 0.33
FPR1 P21462 1/20 0.33
FPR2 P25090 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL29932129 0.87 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1LMNATP53GAA
SCHEMBL23536478 0.87 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1LMNATP53GAA
SCHEMBL29932117 0.82 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1LMNATP53GAA
SCHEMBL29772926 0.71 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1LMNATP53GAA
SCHEMBL23536460 0.70 GAA (0.46) SMN1; SMN2ALDH1A1LMNATP53GAA
SCHEMBL29931915 0.70 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1LMNATP53GAA
SCHEMBL29931975 0.69 DRD4 (0.35) SMN1; SMN2ALDH1A1LMNATP53GAA
SCHEMBL29932039 0.68 POLB (0.38) SMN1; SMN2ALDH1A1DRD2ADRA1DADRA1A
SCHEMBL29931848 0.67 GRM2 (0.39) SMN1; SMN2ALDH1A1GAADRD2ADRA1D
SCHEMBL23536443 0.67 F10 (0.46) GAAF10

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-115087440-A TRPML modulators 卡斯玛治疗公司 2022-09-20 CN disclosed