SCHEMBL23770688

SCHEMBL23770688

Cc1ccccc1-c1nc(N[S+]([O-])c2nc(N)ccc2F)ccc1Cl

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.33
▸ CTSD P07339 1/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ ADORA2A P29274 1/20 0.31
▸ MAPK14 Q16539 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
SCHEMBL23770437 0.75 NOS3 (0.35) DPP4ADORA2A
SCHEMBL19925036 0.74 ALOX5AP (0.34) CTSDBACE1ADORA2A
SCHEMBL29464345 0.74 ALOX5AP (0.34) CTSDBACE1ADORA2A
SCHEMBL19968759 0.74 BACE1 (0.47) DPP4CTSDBACE1ADORA2A
SCHEMBL29464888 0.74 BACE1 (0.47) DPP4CTSDBACE1ADORA2A
SCHEMBL23770590 0.68 ADORA2A (0.35) DPP4CTSDBACE1ADORA2A
SCHEMBL23770629 0.68 PTPN1 (0.32) DPP4CTSDBACE1ADORA2A
SCHEMBL19968754 0.67 HSD11B1 (0.38) CTSDBACE1ADORA2A
SCHEMBL29464324 0.67 HSD11B1 (0.38) CTSDBACE1ADORA2A
SCHEMBL19925031 0.67 PIK3CD (0.40) —

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
Send feedback