SCHEMBL22012770

SCHEMBL22012770

NC(=O)/N=S(/N)c1cc2c(s1)CCN(CC(F)F)C2

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 19/20 0.37
WDR77 Q9BQA1 19/20 0.37
ASIC3 Q9UHC3 1/20 0.34

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
SCHEMBL22012769 0.73 PRMT5 (0.36) PRMT5WDR77
SCHEMBL22012076 0.71 ASIC3 (0.37) PRMT5WDR77ASIC3
SCHEMBL22012071 0.71 PNMT (0.38) PRMT5WDR77ASIC3
SCHEMBL22012078 0.69 ASIC3 (0.34) PRMT5WDR77ASIC3
SCHEMBL21962438 0.65 PRMT5 (0.32) PRMT5WDR77ASIC3
SCHEMBL21962432 0.63 ALDH1A1 (0.51) PRMT5WDR77ASIC3
SCHEMBL30244016 0.63 NLRP3 (0.39) PRMT5WDR77
SCHEMBL29229884 0.59 ADORA1 (0.62)
SCHEMBL25975792 0.58 CARM1 (0.56) PRMT5WDR77
SCHEMBL10855362 0.58 RAD52 (0.46) PRMT5WDR77ASIC3

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-2020102576-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed