SCHEMBL25857602

SCHEMBL25857602

COc1cc(Br)ccc1-c1nnc(N)c2cc(F)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 1/20 0.39
MGAM O43451 2/20 0.38
GAA P10253 2/20 0.38
SI P14410 2/20 0.38
MGAM2 Q2M2H8 2/20 0.38
SCN9A Q15858 6/20 0.35
FYN P06241 2/20 0.35
UGCG Q16739 1/20 0.35
PDE7A Q13946 1/20 0.34
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
LRRK2 Q5S007 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33

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
SCHEMBL25296592 0.87 AMY1A (0.40) AMY1AMGAMGAASIMGAM2
SCHEMBL25257750 0.85 AMY1A (0.39) AMY1AMGAMGAASIMGAM2
SCHEMBL25258989 0.85 AMY1A (0.39) AMY1AMGAMGAASIMGAM2
SCHEMBL25857608 0.81 SCN9A (0.33) SCN9AFYNUGCGPDE7AKDM4E
SCHEMBL25857617 0.78 SCN9A (0.32) SCN9AFYNUGCGPDE7AKDM4E
SCHEMBL26517604 0.75 UGCG (0.39) SCN9AFYNUGCG
SCHEMBL31197243 0.72 CHEK1 (0.47)
SCHEMBL30108829 0.71 THRB (0.38) AMY1AMGAMGAASIMGAM2
SCHEMBL28934467 0.71 PRNP (0.38) MGAMGAASIMGAM2KMT2A
SCHEMBL28934693 0.71 KDM4E (0.38) SCN9AUGCGKDM4ELMNAHTT

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