SCHEMBL22014868

SCHEMBL22014868

CC(C)c1cc(C(F)F)nc(C(C)C)c1Br

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31

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
SCHEMBL22014867 0.81 TDP1 (0.33) TDP1L3MBTL1
SCHEMBL20681209 0.77 GABRA1 (0.33) GABRA1GABRB1
SCHEMBL20681216 0.70 GAA (0.33) L3MBTL1GABRA1GABRB1
SCHEMBL21962072 0.69 THRB (0.33) GABRA1
SCHEMBL20681107 0.69 GABRA1 (0.34) GABRA1GABRB1
SCHEMBL22014390 0.69 GABRA1 (0.34) GABRA1GABRB1
SCHEMBL20681212 0.67 MEN1 (0.35) TDP1
SCHEMBL20681169 0.66 MAPT (0.40)
SCHEMBL25467522 0.64 NOS3 (0.36)
SCHEMBL14853225 0.63 TDP1 (0.33) TDP1L3MBTL1

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