SCHEMBL30488561

SCHEMBL30488561

CS(=O)(=O)c1nncc(C2CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.43
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
RIPK1 Q13546 1/20 0.31
BPTF Q12830 1/20 0.30
CYP11B2 P19099 1/20 0.30

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
SCHEMBL25258684 1.00 TLR8 (0.43) TLR8LMNASMN1; SMN2PTGS1PTGS2
SCHEMBL11632865 0.77 BPTF (0.39) TLR8LMNASMN1; SMN2BPTF
SCHEMBL18563080 0.71 TLR8 (0.31) TLR8CYP11B2
SCHEMBL8820190 0.71 TLR8 (0.54) TLR8LMNASMN1; SMN2PTGS1PTGS2
SCHEMBL30488536 0.71 CA12 (0.37) LMNASMN1; SMN2BPTF
SCHEMBL18502841 0.71 CA12 (0.37) LMNASMN1; SMN2BPTF
SCHEMBL30150121 0.70 TLR8 (0.52) TLR8LMNASMN1; SMN2PTGS1PTGS2
SCHEMBL28930700 0.70 TLR8 (0.52) TLR8LMNASMN1; SMN2PTGS1PTGS2
SCHEMBL30989714 0.68 CYP11B1 (0.31) CYP11B2
SCHEMBL25314029 0.68 CYP11B1 (0.31) CYP11B2

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 4 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-117222626-A Substituted triazine compounds 安斯泰来制药株式会社 2023-12-12 CN disclosed
CN-116669727-A Triazole-pyridinyl substituted azacyclohexylacetic acid compounds as LPA receptor antagonists 唯久生物有限公司 2023-08-29 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