SCHEMBL23770746

SCHEMBL23770746

CCc1ccccc1-c1nc(SNc2cccc(N3CCC(C)(C(=O)O)CC3)n2)ccc1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.33
CLK2 P49760 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
CSNK2A1 P68400 1/20 0.33
STK3 Q13188 1/20 0.33
HIPK4 Q8NE63 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
CYP2C9 P11712 3/20 0.33
EPHX2 P34913 3/20 0.33
KIF18A Q8NI77 10/20 0.32
GPBAR1 Q8TDU6 1/20 0.31
ACACB O00763 1/20 0.31
PTPN11 Q06124 1/20 0.31
PRKCA P17252 1/20 0.30
PRKCQ Q04759 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 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
SCHEMBL23770730 0.88 RORC (0.32) RORCCYP2C9EPHX2GPBAR1PRKCA
SCHEMBL19970208 0.85 BTK (0.34) EPHX2KIF18A
SCHEMBL19970137 0.85 BTK (0.34) EPHX2KIF18A
SCHEMBL23770709 0.84 AURKA (0.32) CLK2GSK3AGSK3BCSNK2A1STK3
SCHEMBL19925432 0.83 SCN1A (0.34) RORCCLK2GSK3AGSK3BCSNK2A1
SCHEMBL29464543 0.83 SCN1A (0.34) RORCCLK2GSK3AGSK3BCSNK2A1
SCHEMBL23770654 0.83 RORC (0.40) RORCGPBAR1PTPN11
SCHEMBL23770572 0.83 FFAR4 (0.35) CYP2C9EPHX2GPBAR1PRKCAPRKCQ
SCHEMBL23770801 0.81 GPBAR1 (0.33) RORCKIF18AGPBAR1ACACBPRKCA
SCHEMBL23770721 0.81 GPBAR1 (0.33) RORCGPBAR1ACACBPRKCAPRKCQ

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