SCHEMBL23770795

SCHEMBL23770795

Cc1ccc(F)cc1-c1nc(N[S+]([O-])c2cccc(N3CCC(C)(C(=O)O)CC3)n2)ccc1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 12/20 0.34
RORC P51449 1/20 0.33
WDR5 P61964 1/20 0.31
RAF1 P04049 4/20 0.31
BRAF P15056 4/20 0.31
CYP3A4 P08684 1/20 0.31
TACR1 P25103 1/20 0.31
FAAH O00519 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
SCHEMBL23770748 0.91 RORC (0.33) RORCTACR1
SCHEMBL23770643 0.85 ADRB2 (0.37) ABL1WDR5RAF1BRAF
SCHEMBL23770705 0.85 HRH3 (0.35) WDR5
SCHEMBL23770589 0.84 WDR5 (0.31) WDR5
SCHEMBL23770744 0.84 RAF1 (0.33) ABL1WDR5RAF1BRAF
SCHEMBL19925185 0.83 RORC (0.35) ABL1RORCWDR5RAF1BRAF
SCHEMBL29464968 0.83 RORC (0.35) ABL1RORCWDR5RAF1BRAF
SCHEMBL23770477 0.83 MAPK10 (0.36) RORCBRAF
SCHEMBL23770780 0.82 PRKCA (0.33) RORC
SCHEMBL23770679 0.81 TTR (0.32) ABL1WDR5

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