SCHEMBL24326648

SCHEMBL24326648

Cc1cccc(C)c1-c1cc(O)nc(NSc2cccc(N3CCCN(C4CCC(F)(F)CC4)CC3)c2)n1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TLR9 Q9NR96 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
SOS1 Q07889 1/20 0.30
PARP1 P09874 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
SCHEMBL24326270 0.91 FFAR4 (0.32) GAAALOX15FFAR4
SCHEMBL24325715 0.88 FFAR4 (0.32) FFAR4
SCHEMBL24326652 0.87 FFAR4 (0.32) FFAR4
SCHEMBL24325712 0.87
SCHEMBL24325812 0.82 MAP4K1 (0.39)
SCHEMBL24326123 0.79 CYBB (0.33) GAA
SCHEMBL24325710 0.78 HRH3 (0.31)
SCHEMBL24326318 0.78 DRD2 (0.44)
SCHEMBL27012775 0.77 PARP1 (0.32) PARP1
SCHEMBL24325796 0.77 FFAR4 (0.31) FFAR4

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
WO-2022076625-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed