SCHEMBL23770629

SCHEMBL23770629

Cc1ccccc1-c1nc(N[S+]([O-])c2cccc(N)n2)ccc1C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.32
MPL P40238 1/20 0.32
ADORA2A P29274 1/20 0.31
BACE1 P56817 2/20 0.31
HSD11B1 P28845 1/20 0.30
DPP4 P27487 1/20 0.30
CTSD P07339 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
SCHEMBL23770823 0.87 CYP1A2 (0.38) PTPN1
SCHEMBL23770787 0.82 PDE10A (0.35)
SCHEMBL23770621 0.81 PDE10A (0.35)
SCHEMBL23770416 0.80 PTPN11 (0.37)
SCHEMBL23770649 0.79 PIM1 (0.34) DPP4
SCHEMBL23770480 0.79 GRIN2B (0.33)
SCHEMBL23770551 0.77 PTPN1 (0.36) PTPN1MPLADORA2ABACE1DPP4
SCHEMBL23770712 0.77 NPC1 (0.33)
SCHEMBL23770413 0.77 CCNT1 (0.47)
SCHEMBL19968786 0.76 BACE1 (0.44) PTPN1MPLADORA2ABACE1HSD11B1

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