SCHEMBL23770830

SCHEMBL23770830

Cc1cc(F)ccc1-c1nc(N[S+]([O-])c2cccc(N3CC(O)C3)n2)ccc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.33
TACR1 P25103 1/20 0.33
TACR3 P29371 1/20 0.33
HCRTR1 O43613 3/20 0.33
HCRTR2 O43614 3/20 0.33
RAF1 P04049 3/20 0.32
BRAF P15056 3/20 0.32
SOS1 Q07889 1/20 0.32
WDR5 P61964 1/20 0.31
GRIN2B Q13224 2/20 0.31
CLK2 P49760 1/20 0.31
LRRK2 Q5S007 1/20 0.31
MPL P40238 1/20 0.31
PRKCA P17252 1/20 0.30
PRKCQ Q04759 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
SCHEMBL23770744 0.93 RAF1 (0.33) HCRTR1HCRTR2RAF1BRAFSOS1
SCHEMBL23770749 0.85 MPL (0.33) HCRTR1HCRTR2SOS1GRIN2BCLK2
SCHEMBL23770733 0.81 PDE10A (0.32) HCRTR1HCRTR2GRIN2BCLK2LRRK2
SCHEMBL23770454 0.80 PIM1 (0.34) WDR5PRKCQ
SCHEMBL19925131 0.80 GHSR (0.39) MAP4K1TACR1TACR3HCRTR1HCRTR2
SCHEMBL23770643 0.80 ADRB2 (0.37) MAP4K1RAF1BRAFSOS1WDR5
SCHEMBL23770787 0.80 PDE10A (0.35) TACR1
SCHEMBL23770705 0.80 HRH3 (0.35) WDR5
SCHEMBL23770589 0.79 WDR5 (0.31) WDR5
SCHEMBL23770621 0.79 PDE10A (0.35) TACR1

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