SCHEMBL30488484

SCHEMBL30488484

C#Cc1ccc(-c2nnc(NCC3CCCO3)c3c2CCCC3)c(O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 3/20 0.46
LMNA P02545 5/20 0.42
GAA P10253 4/20 0.42
MAPT P10636 4/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPK1 P28482 4/20 0.42
KMT2A Q03164 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 2/20 0.42
HCRTR1 O43613 1/20 0.42
CASP1 P29466 1/20 0.42
TNK2 Q07912 3/20 0.40
CACNA2D1 P54289 1/20 0.38
ALOX15 P16050 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
TSHR P16473 2/20 0.38
TP53 P04637 2/20 0.38
USP2 O75604 1/20 0.38
GBA1 P04062 1/20 0.38
CSNK2A1 P68400 1/20 0.37

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
SCHEMBL25300770 1.00 NLRP3 (0.46) NLRP3LMNAGAAMAPTALDH1A1
SCHEMBL30488586 0.87 NLRP3 (0.57) NLRP3LMNAGAAMAPTALDH1A1
SCHEMBL25302500 0.87 NLRP3 (0.57) NLRP3LMNAGAAMAPTALDH1A1
SCHEMBL25862809 0.83 CACNA2D1 (0.42) NLRP3LMNAGAAMAPTALDH1A1
SCHEMBL25856345 0.81 TNK2 (0.41) LMNAGAAMAPTALDH1A1MAPK1
SCHEMBL30488545 0.81 TNK2 (0.41) LMNAGAAMAPTALDH1A1MAPK1
SCHEMBL25862365 0.81 TNK2 (0.41) LMNAGAAMAPTALDH1A1MAPK1
SCHEMBL29030601 0.81 TNK2 (0.41) LMNAGAAMAPTALDH1A1MAPK1
SCHEMBL30488495 0.81 TNK2 (0.41) LMNAGAAMAPTALDH1A1MAPK1
SCHEMBL25855247 0.80 NLRP3 (0.54) NLRP3GBA1

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
CN-119798221-A NLRP3 inflammation corpuscle inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2025-04-11 CN disclosed
CN-116410140-A NLRP3 inflammation corpuscle inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2023-07-11 CN disclosed