SCHEMBL23770812

SCHEMBL23770812

CC1(O)CN(c2cccc([S+]([O-])Nc3ccc(C(F)(F)F)c(-c4ccccc4Cl)n3)n2)C1

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.30
KRAS P01116 1/20 0.30
PTPN11 Q06124 1/20 0.30
SOS1 Q07889 2/20 0.30
P2RY1 P47900 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
SCHEMBL23770598 0.84 ADRB2 (0.43) PTPN11
SCHEMBL23770480 0.83 GRIN2B (0.33)
SCHEMBL19968848 0.79 KIF18A (0.37) HSD11B1KRASPTPN11SOS1P2RY1
SCHEMBL23770818 0.78
SCHEMBL23770787 0.78 PDE10A (0.35)
SCHEMBL23770749 0.78 MPL (0.33) SOS1
SCHEMBL23770416 0.77 PTPN11 (0.37) PTPN11
SCHEMBL23770621 0.77 PDE10A (0.35)
SCHEMBL23770817 0.77
SCHEMBL23770748 0.76 RORC (0.33) 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