SCHEMBL23770816

SCHEMBL23770816

COc1ccc(Cl)c(-c2nc(N[S+]([O-])c3cccc(N4CC(O)C4)n3)ccc2Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 11/20 0.35
SCN10A Q9Y5Y9 3/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
SCN1A P35498 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
CAMK1D Q8IU85 1/20 0.32
ROS1 P08922 2/20 0.32
ALK Q9UM73 1/20 0.32
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 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
SCHEMBL23770733 0.91 PDE10A (0.32) PDE10ASCN10AHCRTR1HCRTR2SCN1A
SCHEMBL23770496 0.80 RAF1 (0.35)
SCHEMBL19925210 0.79 ROS1 (0.36) PDE10ASCN10AHCRTR1HCRTR2SCN1A
SCHEMBL23770833 0.78 ADRB2 (0.39) ALK
SCHEMBL23770477 0.76 MAPK10 (0.36) SCN10AHCRTR1HCRTR2SCN1ASCN5A
SCHEMBL23770441 0.71 HTR3E (0.43) SCN9A
SCHEMBL23770749 0.71 MPL (0.33) PDE10AHCRTR1HCRTR2
SCHEMBL23770744 0.70 RAF1 (0.33) HCRTR1HCRTR2
SCHEMBL23770830 0.70 MAP4K1 (0.33) HCRTR1HCRTR2
SCHEMBL23770818 0.68

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