SCHEMBL21963472

SCHEMBL21963472

Nc1c2c(nc(C(F)(F)CF)c1C1CC1)CCC2

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 17/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
BPTF Q12830 1/20 0.41
EEF2K O00418 1/20 0.35
BCHE P06276 8/20 0.34
NLRP3 Q96P20 1/20 0.34
GRIN1 Q05586 3/20 0.33
GRIN2A Q12879 3/20 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
SCHEMBL22019979 0.85 ACHE (0.46) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL30162299 0.85 ACHE (0.46) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL21963473 0.78 ACHE (0.44) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL21963238 0.76 ACHE (0.42) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL21963470 0.76 ACHE (0.42) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL21962951 0.72 ACHE (0.52) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL22020326 0.71 ACHE (0.50) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL30162458 0.71 ACHE (0.50) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL21963080 0.71 ACHE (0.46) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL21963474 0.70 ACHE (0.44) ACHEMEN1MAPK1KMT2ABPTF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3880660-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2021-09-22 EP disclosed
WO-2020102096-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed