SCHEMBL23770591

SCHEMBL23770591

Nc1cccc(SNc2ccc(Cl)c(-c3ccccc3OC(F)(F)F)n2)n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 4/20 0.38
MPL P40238 1/20 0.34
SCN9A Q15858 11/20 0.33
SCN5A Q14524 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
TRPA1 O75762 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
CYP2C9 P11712 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ABL1 P00519 1/20 0.31

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
SCHEMBL23770769 0.86 ALDH1A1 (0.38)
SCHEMBL23770756 0.84 BACE1 (0.36) MPLSCN9ATRPA1CYP3A4CYP2D6
SCHEMBL23770409 0.83 BACE1 (0.35) SCN10ASCN9ASCN5ASCN2ASCN3A
SCHEMBL23770415 0.82 ADORA2A (0.34) MPLPOLB
SCHEMBL23770614 0.82 PTPN1 (0.30)
SCHEMBL23770590 0.81 ADORA2A (0.35)
SCHEMBL23770624 0.80
SCHEMBL23770605 0.80
SCHEMBL23770542 0.79 MPL (0.34) MPL
SCHEMBL29464469 0.78 SCN10A (0.39) SCN10AMPLSCN9ASCN5ASCN2A

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