SCHEMBL22014713

SCHEMBL22014713

CCc1cc(C#N)cc(C(C)C)c1Br

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.34
ABCC8 Q09428 1/20 0.34
KCNJ11 Q14654 1/20 0.34
KCNJ8 Q15842 1/20 0.34
GABRA1 P14867 2/20 0.33
CYP2A6 P11509 1/20 0.33
GABRB1 P18505 1/20 0.33
MEN1 O00255 1/20 0.33
TTR P02766 1/20 0.33
ALB P02768 1/20 0.33
KMT2A Q03164 1/20 0.33
GPR35 Q9HC97 1/20 0.33
GRIN1 Q05586 1/20 0.33
GLA P06280 1/20 0.33
GABRB2 P47870 1/20 0.31
MMP2 P08253 1/20 0.30
MMP3 P08254 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
SCHEMBL19507327 0.83 TTR (0.41) GABRA1CYP2A6GABRB1MEN1TTR
SCHEMBL22014711 0.83 HTT (0.38) ABCC9ABCC8KCNJ11KCNJ8CYP2A6
SCHEMBL1174938 0.77 MEN1 (0.36) ABCC9ABCC8KCNJ11KCNJ8GABRA1
SCHEMBL22705097 0.76 CYP2A6 (0.39) GABRA1CYP2A6GABRB1MEN1TTR
SCHEMBL22705144 0.76 ABCC9 (0.37) ABCC9ABCC8KCNJ11KCNJ8CYP2A6
SCHEMBL14163825 0.75 CYP2A6 (0.44) ABCC9ABCC8KCNJ11KCNJ8CYP2A6
SCHEMBL14498168 0.75 CYP2A6 (0.44) ABCC9ABCC8KCNJ11KCNJ8CYP2A6
SCHEMBL25139005 0.74 ABCC9 (0.32) ABCC9ABCC8KCNJ11KCNJ8CYP2A6
SCHEMBL22014709 0.74 ABCC9 (0.32) ABCC9ABCC8KCNJ11KCNJ8CYP2A6
SCHEMBL21962157 0.73 PTGDR2 (0.35) ABCC9ABCC8KCNJ11KCNJ8GPR35

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