SCHEMBL23536607

SCHEMBL23536607

CN(C)S(=O)(=O)c1ccc(S(=O)(=O)n2ncc3c(Br)cccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.44
CCR1 P32246 2/20 0.38
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37
HDAC5 Q9UQL6 2/20 0.37
MAPT P10636 1/20 0.36
LMNA P02545 3/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
SLC9A1 P19634 1/20 0.34
NPC1 O15118 2/20 0.34

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
SCHEMBL797697 0.84 HTR6 (0.59) HTR6HDAC3HDAC4HDAC1HDAC7
SCHEMBL23536755 0.76 CCR1 (0.43) HTR6CCR1LMNASMN1; SMN2HTT
SCHEMBL23536676 0.76 HTR6 (0.38) HTR6CCR1LMNASMN1; SMN2HTT
SCHEMBL21624028 0.76 NPC1 (0.40) HTR6NPC1RAB9A
SCHEMBL30559970 0.76 NPC1 (0.40) HTR6NPC1RAB9A
SCHEMBL23536654 0.75 SCN5A (0.38) HTR6CCR1LMNASMN1; SMN2HTT
SCHEMBL23536553 0.73 MAPT (0.38) HTR6CCR1MAPTLMNAALDH1A1
SCHEMBL23536574 0.73 SLC6A2 (0.40) CCR1
SCHEMBL23536713 0.71 CYP2C19 (0.41) HTR6MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL27087160 0.69 SLC9A1 (0.42) HTR6MAPTLMNAALDH1A1HTT

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