SCHEMBL7701717

SCHEMBL7701717

Cn1cncc1[C@](CCCO)(N[S+]([O-])C(C)(C)C)c1ccc(C#N)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FNTB P49356 15/20 0.39
FNTA P49354 14/20 0.39
PGGT1B P53609 14/20 0.39
SIGMAR1 Q99720 1/20 0.35
HRH1 P35367 1/20 0.35
RORC P51449 4/20 0.33

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
SCHEMBL7589567 1.00 FNTB (0.39) FNTBFNTAPGGT1BSIGMAR1HRH1
SCHEMBL7694904 1.00 FNTB (0.39) FNTBFNTAPGGT1BSIGMAR1HRH1
SCHEMBL7736917 0.87 FNTA (0.37) FNTBFNTAPGGT1BRORC
SCHEMBL7582554 0.87 FNTB (0.34) FNTBFNTAPGGT1BSIGMAR1HRH1
SCHEMBL7566587 0.80 FNTB (0.42) FNTBFNTAPGGT1BSIGMAR1HRH1
SCHEMBL7736898 0.80 PKM (0.35) FNTBFNTAPGGT1B
Hydrochloric Acid SCHEMBL7758000 0.77 PKM (0.33) FNTBFNTAPGGT1B
SCHEMBL7672909 0.75 CYP17A1 (0.48) FNTBFNTAPGGT1BRORC
SCHEMBL7228124 0.73 CYP11B1 (0.36) FNTBFNTAPGGT1B
SCHEMBL7673750 0.71 FNTA (0.44) FNTBFNTAPGGT1B

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-2002020015-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2002-03-14 WO disclosed