SCHEMBL23770685

SCHEMBL23770685

CNc1cccc(SNc2ccc(Cl)c(-c3cc(F)ccc3C)n2)n1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 9/20 0.37
AGPAT2 O15120 1/20 0.36
CCNT1 O60563 1/20 0.33
CTSA P10619 1/20 0.32
MAOB P27338 1/20 0.31
EPHA4 P54764 1/20 0.31
MAPK14 Q16539 2/20 0.31
NUDT1 P36639 1/20 0.31
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 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
SCHEMBL23770558 0.87 AGPAT2 (0.40) ABL1AGPAT2CTSAEPHA4MAPK14
SCHEMBL23770808 0.80 HTR3E (0.38) ABL1CCNT1MAPK14
SCHEMBL23770741 0.80 ABL1 (0.35) ABL1AGPAT2CCNT1
SCHEMBL23770715 0.80 AGPAT2 (0.34) ABL1AGPAT2CCNT1CTSAMAPK14
SCHEMBL23770831 0.77 ABL1 (0.33) ABL1AGPAT2CTSA
SCHEMBL23770554 0.75 DPP4 (0.33) CCNT1MAPK14MAPK13MAPK12MAPK11
SCHEMBL23770637 0.74 PDE4B (0.38) AGPAT2CCNT1CTSA
SCHEMBL23770776 0.74 ABL1 (0.38) ABL1AGPAT2CCNT1EPHA4MAPK14
SCHEMBL23770590 0.73 ADORA2A (0.35) EPHA4
SCHEMBL23770546 0.73

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