SCHEMBL22012071

SCHEMBL22012071

Cc1cc2c(s1)CCN(CC(F)F)C2

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.38
ASIC3 Q9UHC3 1/20 0.38
PRMT5 O14744 16/20 0.37
WDR77 Q9BQA1 15/20 0.37
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2C19 P33261 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
SCHEMBL25797192 0.81 PNMT (0.42) PNMTASIC3PRMT5WDR77KDM4E
SCHEMBL22012076 0.76 ASIC3 (0.37) ASIC3PRMT5WDR77
SCHEMBL22012078 0.74 ASIC3 (0.34) ASIC3PRMT5WDR77
SCHEMBL14330865 0.74 PRMT5 (0.48) PNMTPRMT5WDR77KDM4ECYP2C19
SCHEMBL21962432 0.73 ALDH1A1 (0.51) ASIC3PRMT5WDR77KDM4EALDH1A1
SCHEMBL1870797 0.72 PNMT (0.46) PNMTPRMT5WDR77
SCHEMBL16624079 0.71 PNMT (0.42) PNMTASIC3PRMT5WDR77KDM4E
SCHEMBL22012770 0.71 PRMT5 (0.37) ASIC3PRMT5WDR77
SCHEMBL26032152 0.71 PRMT5 (0.46) ASIC3PRMT5WDR77
SCHEMBL22012077 0.70 PRMT5 (0.34) PRMT5WDR77

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