SCHEMBL30498486

SCHEMBL30498486

Nc1c2c(cc3c1CC3)CCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39
BPTF Q12830 1/20 0.39
NOS3 P29474 2/20 0.34
NOS1 P29475 2/20 0.34
NOS2 P35228 2/20 0.34
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NLRP3 Q96P20 4/20 0.33
BCHE P06276 4/20 0.32
LMNA P02545 1/20 0.32
GRIN1 Q05586 3/20 0.31
GRIN2A Q12879 3/20 0.31
ATM Q13315 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
SCHEMBL20681022 1.00 ACHE (0.39) ACHEMEN1KMT2AMAPK1BPTF
SCHEMBL6231710 0.95 ACHE (0.42) ACHEMEN1KMT2AMAPK1BPTF
SCHEMBL19791796 0.92 ACHE (0.46) ACHEMEN1KMT2AMAPK1BPTF
SCHEMBL23808911 0.90 ACHE (0.44) ACHEMEN1KMT2AMAPK1BPTF
SCHEMBL21810680 0.89 ACHE (0.31) ACHE
SCHEMBL25404714 0.82 ACHE (0.34) ACHEMEN1KMT2AMAPK1BPTF
SCHEMBL30244294 0.78 CASP1 (0.35) MEN1KMT2AMAPK1ALDH1A1NLRP3
SCHEMBL18007595 0.78 CASP1 (0.35) MEN1KMT2AMAPK1ALDH1A1NLRP3
SCHEMBL18007624 0.78 MEN1 (0.41) ACHEMEN1KMT2AMAPK1BPTF
SCHEMBL23674334 0.76 MEN1 (0.31) ACHEMEN1KMT2AMAPK1BPTF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4349820-A2 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2024-04-10 EP disclosed
CN-117209447-A Compounds and compositions for treating disorders associated with NLRP activity 诺华股份有限公司 2023-12-12 CN disclosed
CN-117143042-A Compounds and compositions for treating disorders associated with NLRP activity 诺华股份有限公司 2023-12-01 CN disclosed
CN-111094243-B Compounds and compositions for treating disorders associated with NLRP activity 诺华股份有限公司 2023-09-05 CN disclosed