SCHEMBL24629792

SCHEMBL24629792

Cc1ccc(S(=O)(=O)n2ccc3cc(C)cc(Br)c32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.49
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
RAPGEF4 Q8WZA2 6/20 0.43
HTT P42858 4/20 0.43
PKM P14618 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR6 P50406 2/20 0.43
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
BRD4 O60885 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
POLB P06746 2/20 0.38
ALDH3A1 P30838 1/20 0.38
NOD1 Q9Y239 1/20 0.38
MMP2 P08253 1/20 0.38
CA12 O43570 1/20 0.38

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
SCHEMBL29769190 1.00 L3MBTL1 (0.49) L3MBTL1CA1CA2RAPGEF4HTT
SCHEMBL24630039 0.89 L3MBTL1 (0.45) L3MBTL1CA1CA2RAPGEF4HTT
SCHEMBL21439014 0.85 HTR6 (0.45) L3MBTL1CA1CA2RAPGEF4HTT
SCHEMBL21438920 0.85 RAPGEF4 (0.47) L3MBTL1CA1CA2RAPGEF4HTR6
SCHEMBL15392858 0.84 L3MBTL1 (0.55) L3MBTL1CA1CA2RAPGEF4HTT
SCHEMBL21439220 0.82 TCF4 (0.44) L3MBTL1CA1CA2TDP1TSHR
SCHEMBL17518587 0.82 L3MBTL1 (0.49) L3MBTL1CA1CA2RAPGEF4HTT
SCHEMBL31022931 0.80 L3MBTL1 (0.45) L3MBTL1CA1CA2RAPGEF4HTT
SCHEMBL30993567 0.78 L3MBTL1 (0.43) L3MBTL1CA1CA2RAPGEF4HTT
SCHEMBL17504506 0.78 L3MBTL1 (0.48) L3MBTL1CA1CA2RAPGEF4HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023250157-A9 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE CORNELL UNIVERSITY (US) 2024-01-25 WO disclosed
WO-2023250157-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE CORNELL UNIVERSITY (US) 2023-12-28 WO disclosed
WO-2022150574-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE CORNELL UNIVERSITY (US) 2022-07-14 WO disclosed