SCHEMBL29030561

SCHEMBL29030561

C#Cc1ccc(-c2nnc(N[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2C2CC2)c(OCOCC)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 4/20 0.38
USP30 Q70CQ3 2/20 0.36
JAK1 P23458 3/20 0.35
JAK2 O60674 2/20 0.35
ANO1 Q5XXA6 2/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
BRD4 O60885 1/20 0.34
BTK Q06187 1/20 0.34
PIM1 P11309 2/20 0.33
PIM2 Q9P1W9 2/20 0.33
TYK2 P29597 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
AHCY P23526 1/20 0.33
GABRA5 P31644 1/20 0.33
JAK3 P52333 1/20 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
SCHEMBL30488607 1.00 NLRP3 (0.38) NLRP3USP30JAK1JAK2ANO1
SCHEMBL30488499 1.00 NLRP3 (0.38) NLRP3USP30JAK1JAK2ANO1
SCHEMBL29030563 1.00 NLRP3 (0.38) NLRP3USP30JAK1JAK2ANO1
SCHEMBL30893688 0.92 NLRP3 (0.46) NLRP3USP30JAK1BRD4PIM1
SCHEMBL30833969 0.92 NLRP3 (0.46) NLRP3USP30JAK1BRD4PIM1
SCHEMBL30833963 0.90 IL1B (0.44) NLRP3USP30BRD4AHCY
SCHEMBL30833954 0.90 IL1B (0.44) NLRP3USP30BRD4AHCY
SCHEMBL29030471 0.89 USP30 (0.37) NLRP3USP30JAK1JAK2ANO1
SCHEMBL30488526 0.89 USP30 (0.37) NLRP3USP30JAK1JAK2ANO1
SCHEMBL29030472 0.89 USP30 (0.37) NLRP3USP30JAK1JAK2ANO1

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-117986258-A NLRP3 inflammation corpuscle inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2024-05-07 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