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SCHEMBL23536682

SCHEMBL23536682

CCC1(OC)CCN(c2nn(S(=O)(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c3ccccc23)CC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 5/20 0.34
▸ CYP2D6 P10635 1/20 0.33
▸ GBA1 P04062 4/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ LOXL2 Q9Y4K0 2/20 0.31
▸ GAA P10253 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL23536839 0.81 HSD17B10 (0.39) HTR6CYP2D6LMNAKMT2A
SCHEMBL23536635 0.80 HSD17B10 (0.48) HTR6LMNAGAAKMT2A
SCHEMBL23536533 0.79 HTR6 (0.40) HTR6GBA1LMNALOXL2KMT2A
SCHEMBL23536666 0.78 GPR119 (0.34) HTR6CYP2D6KMT2A
SCHEMBL23536596 0.78 SLC6A2 (0.39) HTR6CYP2D6GBA1LMNAPTGDR2
SCHEMBL23536612 0.76 JAK2 (0.35) HTR6CYP2D6GBA1LMNAPTGDR2
SCHEMBL23536661 0.75 SMN1; SMN2 (0.46) HTR6CYP2D6GBA1LMNAPTGDR2
SCHEMBL23536619 0.75 TP53 (0.34) HTR6CYP2D6GBA1LMNAMAPT
SCHEMBL23536667 0.75 LMNA (0.34) HTR6CYP2D6GBA1LMNAMAPT
SCHEMBL23536713 0.70 CYP2C19 (0.41) HTR6LMNAMAPTLOXL2KMT2A

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