SCHEMBL23770733

SCHEMBL23770733

COc1ccc(Cl)c(-c2nc(N[S+]([O-])c3cccc(N4CC(O)C4)n3)ccc2C(F)(F)F)c1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.32
PHGDH O43175 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
SCN10A Q9Y5Y9 2/20 0.32
GRIN2B Q13224 1/20 0.32
TRPV1 Q8NER1 1/20 0.31
KRAS P01116 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
CLK2 P49760 1/20 0.31
LRRK2 Q5S007 1/20 0.31
MAPK10 P53779 1/20 0.31
SCN1A P35498 1/20 0.31
SCN5A Q14524 1/20 0.31
SCN9A Q15858 1/20 0.31
HSD17B10 Q99714 1/20 0.30
ACACB O00763 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
SCHEMBL23770816 0.91 PDE10A (0.35) PDE10AHCRTR1HCRTR2SCN10ASCN1A
SCHEMBL23770833 0.88 ADRB2 (0.39) PHGDHMAPK10HSD17B10
SCHEMBL23770477 0.85 MAPK10 (0.36) PHGDHHCRTR1HCRTR2SCN10AGRIN2B
SCHEMBL23770749 0.82 MPL (0.33) PDE10AHCRTR1HCRTR2GRIN2BCLK2
SCHEMBL19925068 0.81 ROS1 (0.33) PDE10APHGDHHCRTR1HCRTR2SCN10A
SCHEMBL23770830 0.81 MAP4K1 (0.33) HCRTR1HCRTR2GRIN2BCLK2LRRK2
SCHEMBL23770744 0.81 RAF1 (0.33) HCRTR1HCRTR2GRIN2BCLK2LRRK2
SCHEMBL23770496 0.78 RAF1 (0.35)
SCHEMBL23770812 0.76 HSD11B1 (0.30) KRAS
SCHEMBL23770598 0.73 ADRB2 (0.43) MAPTSCN9AHSD17B10

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