SCHEMBL25857617

SCHEMBL25857617

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

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.32
UGCG Q16739 1/20 0.31
FYN P06241 2/20 0.31
PDE7A Q13946 1/20 0.31
PGR P06401 1/20 0.30
NR3C2 P08235 1/20 0.30
AR P10275 1/20 0.30
CHRNA7 P36544 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
ALOX12 P18054 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 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
SCHEMBL25857608 0.86 SCN9A (0.33) SCN9AUGCGFYNPDE7AKDM4E
SCHEMBL25857602 0.78 AMY1A (0.39) SCN9AUGCGFYNPDE7APGR
SCHEMBL26517604 0.69 UGCG (0.39) SCN9AUGCGFYN
SCHEMBL27355385 0.67 SCN9A (0.44) SCN9A
SCHEMBL25296592 0.66 AMY1A (0.40) SCN9AUGCGKDM4EALDH1A1LMNA
SCHEMBL22163477 0.66 CA2 (0.42) ARKDM4EALDH1A1
SCHEMBL28934693 0.65 KDM4E (0.38) SCN9AUGCGKDM4EALDH1A1LMNA
SCHEMBL28934449 0.65 KDM4E (0.40) SCN9AKDM4EALDH1A1LMNAMAPT
SCHEMBL25258989 0.65 AMY1A (0.39) SCN9AUGCGKDM4EALDH1A1LMNA
SCHEMBL25257750 0.65 AMY1A (0.39) SCN9AUGCGKDM4EALDH1A1LMNA

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