SCHEMBL2946853

SCHEMBL2946853

CN(C)c1cc[nH+]c(C#N)c1.F[B-](F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31

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
SCHEMBL28096203 0.71 ALDH1A1 (0.39) ALDH1A1MAPT
Cyanate SCHEMBL27860114 0.69 ALDH1A1 (0.38) ALDH1A1MAPT
SCHEMBL13739079 0.66 ALDH1A1 (0.48) ALDH1A1MAPT
SCHEMBL22129788 0.66 TSHR (0.32) —
SCHEMBL2222144 0.66 ALDH1A1 (0.41) ALDH1A1MAPT
SCHEMBL22126285 0.62 ALDH1A1 (0.73) ALDH1A1MAPT
Toluene SCHEMBL20393936 0.62 TSHR (0.38) ALDH1A1MAPT
SCHEMBL29907686 0.59 TRPV4 (0.39) ALDH1A1MAPT
SCHEMBL4531332 0.59 ALDH1A1 (0.39) ALDH1A1MAPT
SCHEMBL161677 0.59 ALDH1A1 (0.39) ALDH1A1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754225-B2 Method of protecting against staphylococcal infection GLAXOSMITHKLINE BIOLOGICALS S.A. (BE) 2010-07-13 — — US disclosed
EP-2046377-A1 METHOD OF PROTECTING AGAINST STAPHYLOCOCCAL INFECTION Nabi Biopharmaceuticals, Inc. (US) 2009-04-15 — — EP disclosed
WO-2008115254-A1 METHOD OF PROTECTING AGAINST STAPHYLOCOCCAL INFECTION NABI BIOPHARMACEUTICALS, INC. (US) 2008-09-25 — — WO disclosed
US-20080019983-A1 Method of protecting against staphylococcal infection NABI BIOPHARMACEUTICALS (US) 2008-01-24 — — US disclosed
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