SCHEMBL3949063

SCHEMBL3949063

COc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1C[C@H](C)[N+](C(=O)[O-])(C(C)(C)C)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
TP53 P04637 1/20 0.45
CASP1 P29466 1/20 0.45
CPT2 P23786 1/20 0.43
CPT1A P50416 1/20 0.43
CPT1B Q92523 1/20 0.43
WDR5 P61964 1/20 0.43
DRD2 P14416 4/20 0.42
ADRA1D P25100 4/20 0.42
ADRA1A P35348 4/20 0.42
ADRA1B P35368 4/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.41
TSHR P16473 1/20 0.41
USP2 O75604 1/20 0.41
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41

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
SCHEMBL3954198 0.89 CTSL (0.52) L3MBTL1SMN1; SMN2TP53CASP1DRD2
SCHEMBL3948667 0.89 L3MBTL1 (0.48) L3MBTL1SMN1; SMN2TP53CASP1WDR5
SCHEMBL3954107 0.88 MCL1 (0.38) MEN1ALDH1A1KMT2ATSHR
SCHEMBL3951883 0.87 L3MBTL1 (0.44) L3MBTL1SMN1; SMN2TP53CASP1CPT2
SCHEMBL3948717 0.80 CPT1A (0.46) L3MBTL1SMN1; SMN2TP53CASP1CPT2
SCHEMBL3951788 0.78 L3MBTL1 (0.40) L3MBTL1SMN1; SMN2TP53CASP1MEN1
SCHEMBL3949555 0.76 CTSL (0.51) L3MBTL1SMN1; SMN2TP53MEN1ALDH1A1
SCHEMBL3952237 0.76 L3MBTL1 (0.45) L3MBTL1SMN1; SMN2TP53CASP1WDR5
SCHEMBL3947805 0.76 CTSL (0.47) L3MBTL1SMN1; SMN2TP53CASP1KMT2A
SCHEMBL3952817 0.76 HSD11B1 (0.34) L3MBTL1TP53ALDH1A1KMT2ATSHR

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-2009026197-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LIMITED (GB) 2009-02-26 WO disclosed