SCHEMBL23770831

SCHEMBL23770831

Cc1ccc(F)cc1-c1nc(NSc2cccc(N3CC(O)(CO)C3)n2)ccc1Cl

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.33
AGPAT2 O15120 1/20 0.32
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
SCHEMBL23770741 0.84 ABL1 (0.35) ABL1AGPAT2
SCHEMBL23770808 0.84 HTR3E (0.38) ABL1
SCHEMBL19928774 0.82 ABL1 (0.34) ABL1CTSA
SCHEMBL23770855 0.80 ABL1 (0.32) ABL1
SCHEMBL23770486 0.80 ABL1 (0.33) ABL1AGPAT2
SCHEMBL23770508 0.80 ABL1 (0.35) ABL1CTSA
SCHEMBL23770446 0.79 SUV39H2 (0.39)
SCHEMBL23770754 0.78 ABL1 (0.31) ABL1
SCHEMBL23770685 0.77 ABL1 (0.37) ABL1AGPAT2CTSA
SCHEMBL23770558 0.77 AGPAT2 (0.40) ABL1AGPAT2CTSA

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