SCHEMBL25426614

SCHEMBL25426614

Cc1ccc(S(=O)(=O)n2cc(C3CCC3)c3c4c(cnc32)CNCC4)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 13/20 0.38
▸ MCOLN3 Q8TDD5 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ACHE P22303 1/20 0.35
▸ KLK7 P49862 3/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ HTR1A P08908 1/20 0.32

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
SCHEMBL30381748 1.00 HTR6 (0.38) HTR6MCOLN3L3MBTL1ACHEKLK7
SCHEMBL25299253 0.83 HTR6 (0.41) HTR6MCOLN3L3MBTL1HTR2CPOLB
SCHEMBL30381621 0.83 HTR6 (0.41) HTR6MCOLN3L3MBTL1HTR2CPOLB
SCHEMBL30381550 0.80 ALDH1A1 (0.39) HTR6L3MBTL1ACHELMNAPOLB
SCHEMBL25428681 0.80 ALDH1A1 (0.39) HTR6L3MBTL1ACHELMNAPOLB
SCHEMBL25422502 0.71 HTR6 (0.40) HTR6MCOLN3L3MBTL1ACHEKLK7
SCHEMBL30294963 0.69 HTR6 (0.39) HTR6MCOLN3L3MBTL1ACHEKLK7
Hydrochloric Acid SCHEMBL26911638 0.69 HTR6 (0.56) HTR6KLK7HTR1A
SCHEMBL26378439 0.67 FFAR2 (0.46) HTR6ACHEKLK7
SCHEMBL31472502 0.66 HTR6 (0.43) HTR6MCOLN3L3MBTL1ACHEKLK7

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-2023107723-A2 METHODS FOR TREATING NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES LIMITED (IE) 2023-06-15 — — WO disclosed
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