SCHEMBL25860910

SCHEMBL25860910

C#Cc1ccc(-c2nnc(N)c3ccccc23)c(OCOCC)c1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MPO P05164 1/20 0.31
FBP1 P09467 1/20 0.31
TP53 P04637 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
SCHEMBL25859255 0.88 CYP1A1 (0.33) NCF1KDM4EMAPTMEN1ALDH1A1
SCHEMBL25857355 0.87 PIP4K2A (0.30)
SCHEMBL25856890 0.85 ALDH1A1 (0.38) KDM4EMAPTMEN1ALDH1A1HTT
SCHEMBL31314270 0.81 ALOX5AP (0.41) NCF1MAPTMEN1ALDH1A1HTT
SCHEMBL25857192 0.81 DHFR (0.37) NCF1KDM4EMAPTALDH1A1HTT
SCHEMBL31314299 0.81 GABRG2 (0.31)
SCHEMBL25858470 0.80 GABRA1 (0.30)
SCHEMBL31496024 0.80 CACNA2D1 (0.31) MEN1KMT2A
SCHEMBL31314251 0.79 CACNA2D1 (0.33) KMT2A
SCHEMBL25294668 0.78 MAPT (0.32) KDM4EMAPTALDH1A1HTTKMT2A

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-2023131277-A1 NLRP3 INFLAMMASOME INHIBITOR AND USES THEREOF 药捷安康(南京)科技股份有限公司 2023-07-13 WO disclosed