SCHEMBL23770698

SCHEMBL23770698

CCCC1(C(=O)O)CCCN(c2cccc(SNc3ccc(C(F)(F)F)c(-c4ccccc4CC)n3)n2)C1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.31
CACNA1C Q13936 1/20 0.30
SCN5A Q14524 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
SCHEMBL19970221 0.93 EPHX2 (0.31) EPHX2
SCHEMBL23770709 0.91 AURKA (0.32) EPHX2CACNA1CSCN5A
SCHEMBL19970208 0.89 BTK (0.34) EPHX2
SCHEMBL19970137 0.89 BTK (0.34) EPHX2
SCHEMBL19970159 0.87 AURKA (0.31) EPHX2
SCHEMBL19970084 0.86 BTK (0.33) EPHX2
SCHEMBL19970085 0.86 BTK (0.33) EPHX2
SCHEMBL29464948 0.85 SCN9A (0.32) EPHX2
SCHEMBL19925124 0.85 SCN9A (0.32) EPHX2
SCHEMBL23770792 0.84 EPHX2 (0.34) EPHX2

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