SCHEMBL23770709

SCHEMBL23770709

CCCC1(C(=O)O)CCN(c2cccc(SNc3ccc(C(F)(F)F)c(-c4ccccc4CC)n3)n2)CC1

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.32
AURKB Q96GD4 3/20 0.32
CACNA1C Q13936 1/20 0.32
SCN5A Q14524 1/20 0.32
CLK2 P49760 1/20 0.30
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
CSNK2A1 P68400 1/20 0.30
STK3 Q13188 1/20 0.30
HIPK4 Q8NE63 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
TTR P02766 1/20 0.30
CYP2C9 P11712 3/20 0.30
EPHX2 P34913 3/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL23770698 0.91 EPHX2 (0.31) CACNA1CSCN5AEPHX2
SCHEMBL23770730 0.86 RORC (0.32) CACNA1CSCN5ACYP2C9EPHX2
SCHEMBL19970137 0.84 BTK (0.34) EPHX2
SCHEMBL19970208 0.84 BTK (0.34) EPHX2
SCHEMBL19925019 0.84 AURKA (0.34) AURKAAURKBCACNA1CSCN5A
SCHEMBL29464905 0.84 AURKA (0.34) AURKAAURKBCACNA1CSCN5A
SCHEMBL19970221 0.84 EPHX2 (0.31) AURKAAURKBEPHX2
SCHEMBL23770746 0.84 RORC (0.33) CLK2GSK3AGSK3BCSNK2A1STK3
SCHEMBL19970084 0.81 BTK (0.33) EPHX2
SCHEMBL19970085 0.81 BTK (0.33) EPHX2

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