SCHEMBL3823916

SCHEMBL3823916

CN(c1ccccc1)S(=O)(=O)c1ccccc1S(C)(=O)=O

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCOLN3 Q8TDD5 1/20 0.60
KDM4E B2RXH2 1/20 0.54
CA12 O43570 1/20 0.53
CA9 Q16790 1/20 0.53
PGR P06401 1/20 0.50
PKM P14618 1/20 0.48
TSHR P16473 1/20 0.44
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NR1H3 Q13133 2/20 0.43
ATM Q13315 1/20 0.43
GLA P06280 1/20 0.43
NR1I2 O75469 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL3822613 0.81 MCOLN3 (0.60) MCOLN3KDM4ECA12CA9PGR
SCHEMBL10968043 0.79 ALDH1A1 (0.55) LMNAHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL5808143 0.79 MCOLN3 (0.58) MCOLN3KDM4ECA12CA9PGR
SCHEMBL4758890 0.79 MCOLN3 (0.58) MCOLN3KDM4ECA12CA9PGR
SCHEMBL6534930 0.79 MCOLN3 (0.58) MCOLN3KDM4ECA12CA9PGR
SCHEMBL6535002 0.79 MCOLN3 (0.78) MCOLN3KDM4ECA12CA9PGR
SCHEMBL9355856 0.79 MCOLN3 (0.58) MCOLN3KDM4ECA12CA9PGR
Hydrochloric Acid SCHEMBL5805301 0.78 MCOLN3 (0.57) MCOLN3KDM4ECA12CA9PGR
SCHEMBL3853249 0.78 MCOLN3 (0.57) MCOLN3KDM4ECA12CA9PGR
SCHEMBL3826485 0.78 MCOLN3 (0.57) MCOLN3KDM4ECA12CA9PGR

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
WO-2009129365-A1 CATHEPSIN C INHIBITORS GLAXO GROUP LIMITED (GB) 2009-10-22 WO claimed