SCHEMBL23770561

SCHEMBL23770561

Nc1cccc(SNc2ccc(Cl)c(-c3cc(C(F)(F)F)ccc3Cl)n2)n1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IL2 P60568 2/20 0.34
BACE1 P56817 1/20 0.33
EPAS1 Q99814 1/20 0.33
PDE2A O00408 2/20 0.32
KDM1A O60341 1/20 0.32
JAK2 O60674 1/20 0.32
CTSC P53634 1/20 0.32
TRAP1 Q12931 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
AGPAT2 O15120 1/20 0.31
MCL1 Q07820 1/20 0.31
DPP4 P27487 1/20 0.31
LCK P06239 1/20 0.31
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CTSA P10619 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
SCHEMBL23770707 0.92 AGPAT2 (0.39) IL2BACE1PDE2AAGPAT2MCL1
SCHEMBL23770627 0.87 ADORA2A (0.40) KDM1ACTSCCTSSDPP4NPSR1
SCHEMBL23770626 0.87 TRPV1 (0.35) CTSCAGPAT2DPP4
SCHEMBL23770756 0.83 BACE1 (0.36) BACE1DPP4
SCHEMBL23770409 0.83 BACE1 (0.35) BACE1DPP4
SCHEMBL23770542 0.81 MPL (0.34) BACE1
SCHEMBL23770554 0.80 DPP4 (0.33) DPP4
SCHEMBL23770415 0.80 ADORA2A (0.34) BACE1DPP4MAPT
SCHEMBL23770614 0.80 PTPN1 (0.30)
SCHEMBL23770569 0.79 EPAS1 (0.34) BACE1EPAS1CTSA

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