SCHEMBL30488554

SCHEMBL30488554

C#Cc1ccc(-c2nnc(N[C@@H]3CCOC3)c3ccccc23)c(O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
NLRP3 Q96P20 5/20 0.37
MAT2A P31153 1/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
MAOB P27338 2/20 0.35
HTR6 P50406 2/20 0.35
GBA1 P04062 1/20 0.33
EGFR P00533 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
MEN1 O00255 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPK1 P28482 3/20 0.32

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
SCHEMBL25305252 1.00 KDM4E (0.38) KDM4EHSD17B10NLRP3MAT2AKMT2A
SCHEMBL25256486 1.00 KDM4E (0.38) KDM4EHSD17B10NLRP3MAT2AKMT2A
SCHEMBL25302310 0.94 KDM4E (0.41) KDM4EHSD17B10NLRP3KMT2AALDH1A1
SCHEMBL30488599 0.94 KDM4E (0.41) KDM4EHSD17B10NLRP3KMT2AALDH1A1
SCHEMBL25302312 0.94 KDM4E (0.41) KDM4EHSD17B10NLRP3KMT2AALDH1A1
SCHEMBL30108757 0.84 NLRP3 (0.47) KDM4EHSD17B10NLRP3KMT2AALDH1A1
SCHEMBL28934427 0.84 NLRP3 (0.47) KDM4EHSD17B10NLRP3KMT2AALDH1A1
SCHEMBL28934430 0.84 NLRP3 (0.47) KDM4EHSD17B10NLRP3KMT2AALDH1A1
SCHEMBL25855246 0.83 NLRP3 (0.55) NLRP3MAT2A
SCHEMBL25855086 0.82 NLRP3 (0.38) KDM4EHSD17B10NLRP3KMT2AALDH1A1

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