SCHEMBL23770835

SCHEMBL23770835

COc1ccc(Cl)c(-c2nc(NSc3cccc(N4CCC(C)(C(=O)O)CC4)n3)ccc2Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.34
RET P07949 12/20 0.34
SCN10A Q9Y5Y9 2/20 0.34
CNR1 P21554 1/20 0.34
MAPK10 P53779 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
SCN1A P35498 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
PIK3CA P42336 1/20 0.32

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
SCHEMBL23770871 0.88 MEN1 (0.38) PTPN11CNR1
SCHEMBL23770868 0.85 PTPN11 (0.37) PTPN11RETSCN10ACNR1
SCHEMBL23770661 0.84 HTR3A (0.39)
SCHEMBL23770499 0.84 PTPN11 (0.36) PTPN11
SCHEMBL19970017 0.83 HCRTR1 (0.35) SCN10ACNR1MAPK10
SCHEMBL23770734 0.83 HCRTR1 (0.35) SCN10ACNR1MAPK10
SCHEMBL19951418 0.83 KIF18A (0.35) PTPN11RETSCN10ACNR1MAPK10
SCHEMBL23770844 0.83 PTPN11 (0.33) PTPN11CNR1
SCHEMBL23770500 0.83 RORC (0.32) PTPN11
SCHEMBL23770884 0.83 RORC (0.36) PTPN11

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