SCHEMBL22019717

SCHEMBL22019717

Cc1c2c(nc3c1CCC3(C)C)CCC2

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
ACHE P22303 12/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
BPTF Q12830 1/20 0.34
GRIN1 Q05586 6/20 0.33
GRIN2A Q12879 6/20 0.33
BCHE P06276 6/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
CDC7 O00311 1/20 0.31
DBF4 Q9UBU7 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL22019720 0.82 KDM4E (0.36) KDM4EACHEMEN1MAPK1KMT2A
SCHEMBL30120892 0.81 ACHE (0.55) KDM4EACHEMEN1MAPK1KMT2A
SCHEMBL22019942 0.81 ACHE (0.55) KDM4EACHEMEN1MAPK1KMT2A
SCHEMBL24478599 0.79 GAA (0.34) KDM4EACHEMEN1MAPK1KMT2A
SCHEMBL22019716 0.78 USP2 (0.33) KDM4EACHEMEN1MAPK1KMT2A
SCHEMBL24977975 0.78 EEF2K (0.34) KDM4EACHEMEN1MAPK1KMT2A
SCHEMBL24978308 0.77 CYP1A2 (0.36) KDM4EACHEMEN1KMT2A
SCHEMBL21963218 0.77 GAA (0.46) KDM4EACHEMEN1KMT2ABCHE
SCHEMBL22021572 0.76 KDM4E (0.37) KDM4EACHEMEN1MAPK1KMT2A
SCHEMBL19272311 0.76 ACHE (0.54) KDM4EACHEMEN1MAPK1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3880666-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-06-28 EP disclosed
WO-2020154499-A1 SULFONIMIDAMIDE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-07-30 WO disclosed
WO-2020102096-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed