SCHEMBL23536744

SCHEMBL23536744

CN(C)S(=O)(=O)c1ccc(S(=O)(=O)n2cnc3c(-c4ccc(Cl)cc4F)cccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 5/20 0.46
POLB P06746 2/20 0.39
HTT P42858 2/20 0.39
NOD1 Q9Y239 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR6 P50406 2/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR7 P34969 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TP53 P04637 2/20 0.38
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
SCN5A Q14524 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
SCHEMBL23536620 0.78 HTR6 (0.49) L3MBTL1HTR6
SCHEMBL23536654 0.78 SCN5A (0.38) ALDH3A1HTTHTR6TP53TSHR
SCHEMBL23536676 0.69 HTR6 (0.38) HTTHTR6TP53TSHRSMN1; SMN2
SCHEMBL21222781 0.69 ALDH3A1 (0.47) ALDH3A1POLBHTTNOD1L3MBTL1
SCHEMBL23536574 0.66 SLC6A2 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23536553 0.66 MAPT (0.38) HTTHTR6HTR1AHTR7ALDH1A1
SCHEMBL23536590 0.65 MEN1 (0.38) HTTL3MBTL1ALDH1A1TP53TSHR
SCHEMBL30037609 0.64 ALDH3A1 (0.49) ALDH3A1POLBHTTNOD1L3MBTL1
SCHEMBL25552140 0.64 ALDH3A1 (0.49) ALDH3A1POLBHTTNOD1L3MBTL1
SCHEMBL25552138 0.64 ALDH3A1 (0.49) ALDH3A1POLBHTTNOD1L3MBTL1

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-2021127333-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed