SCHEMBL23770638

SCHEMBL23770638

CCCc1ccccc1-c1nc(N[S+]([O-])c2cccc(N3CCCC(C)(C(=O)O)C3)n2)ccc1C(F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EIF2AK4 Q9P2K8 1/20 0.31
BTK Q06187 2/20 0.31
EPHX2 P34913 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
SCHEMBL19970084 0.84 BTK (0.33) EIF2AK4BTKEPHX2
SCHEMBL19970085 0.84 BTK (0.33) EIF2AK4BTKEPHX2
SCHEMBL29464305 0.84 SCN9A (0.32) EIF2AK4BTKEPHX2
SCHEMBL29464459 0.84 SCN9A (0.32) EIF2AK4BTKEPHX2
SCHEMBL19951413 0.84 SCN9A (0.32) EIF2AK4BTKEPHX2
SCHEMBL29464531 0.84 SCN9A (0.32) EIF2AK4BTKEPHX2
SCHEMBL19951451 0.84 SCN9A (0.32) EIF2AK4BTKEPHX2
SCHEMBL19927721 0.84 SCN9A (0.32) EIF2AK4BTKEPHX2
SCHEMBL23770891 0.80 BTK (0.33) EIF2AK4BTKEPHX2
SCHEMBL23770748 0.80 RORC (0.33)

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