SCHEMBL30412966

SCHEMBL30412966

CC(C)(C)OC(=O)Nc1cnc(C2CC(F)(F)C2)c(F)c1.Nc1cnc(C2CC(F)(F)C2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.39
RORC P51449 6/20 0.39
MAPKAPK2 P49137 6/20 0.36
DGAT1 O75907 2/20 0.35
MAP4K4 O95819 1/20 0.35
TSHR P16473 1/20 0.35
FSHR P23945 1/20 0.35
EGLN2 Q96KS0 1/20 0.34
IDH1 O75874 1/20 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
SCHEMBL22803712 0.94 RORC (0.43) SYKRORCMAPKAPK2DGAT1TSHR
SCHEMBL24215689 0.83 RORC (0.41) SYKRORCMAPKAPK2DGAT1TSHR
SCHEMBL14923672 0.82 RORC (0.47) SYKRORCMAPKAPK2DGAT1MAP4K4
SCHEMBL23622903 0.82 RORC (0.40) SYKRORCMAPKAPK2DGAT1TSHR
SCHEMBL29988952 0.82 RORC (0.40) SYKRORCMAPKAPK2DGAT1TSHR
SCHEMBL29714434 0.77 MGLL (0.30)
SCHEMBL22778074 0.77 MGLL (0.30)
SCHEMBL22777989 0.76 NPC1 (0.34)
Hydrochloric Acid SCHEMBL29046110 0.76
SCHEMBL23611992 0.74 NAMPT (0.43) RORCMAPKAPK2DGAT1MAP4K4IDH1

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-4182028-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM Due, Inc. (US) 2023-05-24 EP disclosed