SCHEMBL24629459

SCHEMBL24629459

CCOC(=O)CN(C)S(=O)(=O)c1cc(C)cc2cc(CO)n(S(=O)(=O)c3ccc(C)cc3)c12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
TSHR P16473 2/20 0.43
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NOD2 Q9HC29 1/20 0.41
NOD1 Q9Y239 1/20 0.41
ALDH1A1 P00352 5/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 3/20 0.38
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ADRB2 P07550 1/20 0.37
HCRTR2 O43614 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL24629460 0.87 TSHR (0.41) LMNATSHRKDM4EL3MBTL1NOD2
SCHEMBL24629474 0.86 KDM4E (0.41) LMNATSHRKDM4EL3MBTL1NOD2
SCHEMBL24630033 0.84 LMNA (0.39) LMNATSHRKDM4EL3MBTL1NOD2
SCHEMBL24629926 0.77 LMNA (0.42) LMNAKDM4EALDH1A1GAAHTT
SCHEMBL24629799 0.75 NOD2 (0.41) LMNATSHRKDM4EL3MBTL1NOD2
SCHEMBL7673729 0.74 ALDH1A1 (0.56) LMNAKDM4EL3MBTL1ALDH1A1GAA
SCHEMBL24629610 0.73 POLB (0.41) LMNATSHRKDM4EL3MBTL1ALDH1A1
SCHEMBL29769136 0.73 POLB (0.41) LMNATSHRKDM4EL3MBTL1ALDH1A1
SCHEMBL29769063 0.72 POLB (0.39) KDM4EL3MBTL1ALDH1A1GAAHPGD
SCHEMBL27041743 0.72 RXFP1 (0.33) LMNAKDM4EALDH1A1MAPK1

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
WO-2022150574-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE CORNELL UNIVERSITY (US) 2022-07-14 WO disclosed
WO-2022150574-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE CORNELL UNIVERSITY (US) 2022-07-14 WO disclosed