SCHEMBL23770802

SCHEMBL23770802

CC1(C(=O)O)CCCN(c2cccc(SNc3ccc(Cl)c(-c4ccccc4C(C)(C)C)n3)n2)C1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.33
KCNH2 Q12809 1/20 0.33
KIF18A Q8NI77 2/20 0.32
CHRM4 P08173 1/20 0.31
BTK Q06187 2/20 0.30
RBP4 P02753 1/20 0.30

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
SCHEMBL19970115 0.90 DGAT1 (0.34) DGAT1KCNH2KIF18ACHRM4BTK
SCHEMBL22338250 0.90 DGAT1 (0.36) DGAT1KCNH2KIF18ACHRM4BTK
SCHEMBL23770636 0.88 DGAT1 (0.33) DGAT1KCNH2KIF18A
SCHEMBL19970138 0.88 DGAT1 (0.33) DGAT1KCNH2
SCHEMBL23770821 0.88 DGAT1 (0.33) DGAT1KCNH2
SCHEMBL23770854 0.88 DGAT1 (0.33) DGAT1KCNH2
SCHEMBL23770690 0.87 DGAT1 (0.33) DGAT1KCNH2
SCHEMBL19970083 0.85 BTK (0.34) DGAT1KCNH2KIF18ACHRM4BTK
SCHEMBL23770875 0.85 BTK (0.34) DGAT1KCNH2KIF18ACHRM4BTK
SCHEMBL19970116 0.85 DGAT1 (0.35) DGAT1KCNH2KIF18ABTK

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
EP-3504194-B1 N-(PYRIDIN-2-YL)PYRIDINE-SULFONAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2021-08-18 EP disclosed