SCHEMBL30488562

SCHEMBL30488562

CCOCOc1cc(-c2nnc(NC3CC(C)(O)C3)c3ccccc23)ccc1C=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.35
ALDH1A1 P00352 6/20 0.35
NPSR1 Q6W5P4 3/20 0.35
HTT P42858 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ENPP3 O14638 2/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
NLRP3 Q96P20 3/20 0.33
POLB P06746 3/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 3/20 0.33
TP53 P04637 4/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
MTOR P42345 1/20 0.32
MEN1 O00255 2/20 0.31
ADRB2 P07550 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
SCHEMBL25258660 0.83 NLRP3 (0.37) MAPTALDH1A1NPSR1HTTKDM4E
SCHEMBL30488534 0.83 NLRP3 (0.37) MAPTALDH1A1NPSR1HTTKDM4E
SCHEMBL25861370 0.83 NLRP3 (0.37) MAPTALDH1A1NPSR1HTTKDM4E
SCHEMBL30488529 0.83 NLRP3 (0.37) MAPTALDH1A1NPSR1HTTKDM4E
SCHEMBL25856934 0.83 NLRP3 (0.37) MAPTALDH1A1NPSR1HTTKDM4E
SCHEMBL30833995 0.83 IL1B (0.45) NLRP3
SCHEMBL25863027 0.82 NLRP3 (0.36) NLRP3
SCHEMBL25259699 0.82 NLRP3 (0.36) NLRP3
SCHEMBL30488519 0.82 NLRP3 (0.36) NLRP3
SCHEMBL25304910 0.81 NLRP3 (0.38) MAPTALDH1A1NPSR1HTTKDM4E

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