SCHEMBL22014422

SCHEMBL22014422

CC(=O)Cc1c(C(C)C)cc(C#N)cc1C(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.33
TTR P02766 1/20 0.33
ALB P02768 1/20 0.33
SOAT2 O75908 1/20 0.32
MYC P01106 1/20 0.32
SOAT1 P35610 1/20 0.32
MAP2K3 P46734 1/20 0.32
EGFR P00533 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
GAA P10253 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
LRRK2 Q5S007 1/20 0.31
POLB P06746 1/20 0.31
FABP3 P05413 1/20 0.31
FABP4 P15090 1/20 0.31
FFAR4 Q5NUL3 1/20 0.30
GLA P06280 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
SCHEMBL19475190 0.86 RXRA (0.38) GPR35TTRALBMAPTGAA
SCHEMBL25067225 0.85 EGFR (0.37) GPR35TTRALBSOAT2MYC
SCHEMBL21962203 0.85 GPR35 (0.35) GPR35TTRALBSOAT2MYC
SCHEMBL19507328 0.82 ALDH1A1 (0.37) GPR35ALDH1A1GLA
SCHEMBL19621872 0.80 CA1 (0.46) SOAT2MYCSOAT1MAP2K3ALDH1A1
SCHEMBL2154038 0.77 TTR (0.35) TTRALBMEN1KMT2AALDH1A1
SCHEMBL2154082 0.77 TTR (0.35) TTRALBMEN1KMT2AALDH1A1
SCHEMBL22014897 0.77 NLRP3 (0.41) SOAT2MYCSOAT1MAP2K3GAA
SCHEMBL21962157 0.76 PTGDR2 (0.35) GPR35ALDH1A1MAPTGAAPTGDR2
SCHEMBL25067025 0.76

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-3658538-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-04-19 EP disclosed
WO-2020102574-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed