SCHEMBL25857608

SCHEMBL25857608

COc1cc(C#CS)ccc1-c1nnc(N)c2cc(F)ccc12

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 11/20 0.33
FYN P06241 2/20 0.33
UGCG Q16739 1/20 0.33
PDE7A Q13946 1/20 0.32
KDM4E B2RXH2 2/20 0.31
LMNA P02545 2/20 0.31
HTT P42858 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
GRM5 P41594 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
NTSR1 P30989 1/20 0.31
RAD52 P43351 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
SCHEMBL25857617 0.86 SCN9A (0.32) SCN9AFYNUGCGPDE7AKDM4E
SCHEMBL25857602 0.81 AMY1A (0.39) SCN9AFYNUGCGPDE7AKDM4E
SCHEMBL26517604 0.71 UGCG (0.39) SCN9AFYNUGCGGRM5
SCHEMBL27355385 0.69 SCN9A (0.44) SCN9A
SCHEMBL25296592 0.69 AMY1A (0.40) SCN9AUGCGKDM4ELMNAHTT
SCHEMBL28934449 0.68 KDM4E (0.40) SCN9AKDM4ELMNAHTTKMT2A
SCHEMBL28934693 0.68 KDM4E (0.38) SCN9AUGCGKDM4ELMNAHTT
SCHEMBL25257750 0.67 AMY1A (0.39) SCN9AUGCGKDM4ELMNAHTT
SCHEMBL25258989 0.67 AMY1A (0.39) SCN9AUGCGKDM4ELMNAHTT
SCHEMBL15580084 0.63 FYN (0.49) FYNMAPTRAD52

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