SCHEMBL23770705

SCHEMBL23770705

Cc1ccc(F)cc1-c1nc(N[S+]([O-])c2cccc(N3CCN(C4CC4)CC3)n2)ccc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.35
WDR5 P61964 3/20 0.31
GAA P10253 1/20 0.31
ALOX15 P16050 1/20 0.31
KIF18A Q8NI77 1/20 0.30
SCD O00767 1/20 0.30
ACVR1 Q04771 1/20 0.30
CTSC P53634 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
SCHEMBL23770589 0.89 WDR5 (0.31) WDR5
SCHEMBL23770643 0.88 ADRB2 (0.37) WDR5
SCHEMBL23770559 0.87 HRH3 (0.34) HRH3KIF18A
SCHEMBL23770744 0.86 RAF1 (0.33) WDR5
SCHEMBL23770679 0.85 TTR (0.32) WDR5
SCHEMBL23770795 0.85 ABL1 (0.34) WDR5
SCHEMBL23770454 0.84 PIM1 (0.34) WDR5ACVR1
SCHEMBL19925077 0.81 SCN1A (0.36) HRH3WDR5
SCHEMBL29464443 0.81 SCN1A (0.36) HRH3WDR5
SCHEMBL23770830 0.80 MAP4K1 (0.33) WDR5

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