SCHEMBL30488593

SCHEMBL30488593

CCOCOc1cc(-c2nnc(NCC3CCCO3)c3ccccc23)ccc1C=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.56
TP53 P04637 7/20 0.46
MAPT P10636 14/20 0.46
KDM4E B2RXH2 4/20 0.46
NPSR1 Q6W5P4 2/20 0.46
POLB P06746 3/20 0.45
GAA P10253 3/20 0.44
HPGD P15428 4/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPK1 P28482 2/20 0.43
NPC1 O15118 1/20 0.43
GLA P06280 1/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL25300749 0.84 NLRP3 (0.49) NLRP3TP53MAPTKDM4ENPSR1
SCHEMBL30488532 0.84 NLRP3 (0.49) NLRP3TP53MAPTKDM4ENPSR1
SCHEMBL25860642 0.78 NLRP3 (0.50) NLRP3TP53MAPTKDM4ENPSR1
SCHEMBL25860539 0.77 NLRP3 (0.49) NLRP3TP53MAPTKDM4ENPSR1
SCHEMBL30488562 0.76 MAPT (0.35) NLRP3TP53MAPTKDM4ENPSR1
SCHEMBL25862807 0.74 CACNA2D1 (0.44) NLRP3TP53MAPTKDM4ENPSR1
SCHEMBL24379483 0.73 NLRP3 (1.00) NLRP3TP53MAPTKDM4ENPSR1
SCHEMBL24379512 0.73 NLRP3 (1.00) NLRP3TP53MAPTKDM4ENPSR1
SCHEMBL24379521 0.73 NLRP3 (0.80) NLRP3TP53MAPTKDM4ENPSR1
SCHEMBL24379481 0.73 NLRP3 (1.00) NLRP3TP53MAPTKDM4ENPSR1

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