SCHEMBL5780908

SCHEMBL5780908

FC(F)(F)c1cc[c]cc1-c1cccc2scnc12

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.33
NAMPT P43490 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MPL P40238 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
SCHEMBL12637455 0.83 CYP3A4 (0.39) WDR5ALDH1A1HSD17B10MPL
SCHEMBL15465950 0.74 ALDH1A1 (0.41) ALDH1A1HSD17B10MPL
SCHEMBL6669333 0.72 HSD11B1 (0.42) ALDH1A1HSD17B10
SCHEMBL5785066 0.72 ALOX5AP (0.39) WDR5ALDH1A1HSD17B10
SCHEMBL1880384 0.70 NAMPT (0.46) NAMPTALDH1A1HSD17B10
SCHEMBL547334 0.69 KDM4E (0.38) ALDH1A1HSD17B10
SCHEMBL5672607 0.69 HSD11B1 (0.46) MPL
SCHEMBL12637498 0.69 NAMPT (0.33) NAMPTALDH1A1HSD17B10
SCHEMBL12637494 0.67 NAMPT (0.32) NAMPTALDH1A1HSD17B10
SCHEMBL10616457 0.66 ALDH1A1 (0.40) NAMPTALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670794-A2 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS Amgen Inc. (US) 2006-06-21 EP disclosed
WO-2005033105-A2 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2005-04-14 WO disclosed