SCHEMBL22014633

SCHEMBL22014633

Cc1cc(C(C)C)c(N)c(C(C)C)c1F

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL19507329 0.82
SCHEMBL118738 0.81 ALDH1A1 (0.39) POLBGAAGFERALDH1A1TP53
SCHEMBL31261129 0.81 ALDH1A1 (0.39) POLBGAAGFERALDH1A1TP53
SCHEMBL26890689 0.79 POLB (0.36) POLBGAAGFERALDH1A1TP53
SCHEMBL6300614 0.79 POLB (0.36) POLBGAAGFERALDH1A1TP53
SCHEMBL341228 0.75 CA1 (0.35) POLBGAAGFER
SCHEMBL20681184 0.74 NLRP3 (0.35)
SCHEMBL21603336 0.73 ALDH1A1 (0.36) POLBALDH1A1TP53CYP3A4TSHR
SCHEMBL22864346 0.72 ALDH1A1 (0.39) POLBGAAGFERALDH1A1TP53
SCHEMBL6542714 0.72 ALDH1A1 (0.39) POLBGAAGFERALDH1A1TP53

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-2020102574-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed