SCHEMBL31039746

SCHEMBL31039746

Cc1nc(N[C@@H]2CCCN(CCCS(C)(=O)=O)C2)nnc1Cl

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 7/20 0.43
KAT2B Q92831 7/20 0.38
CCR4 P51679 1/20 0.37
ROCK2 O75116 3/20 0.35
HTR1A P08908 1/20 0.35
CAMK2D Q13557 1/20 0.34

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
SCHEMBL31039762 0.85 NLRP3 (0.56) NLRP3KAT2BCCR4ROCK2CAMK2D
SCHEMBL31341807 0.83 ROCK2 (0.45) NLRP3KAT2BROCK2CAMK2D
SCHEMBL27292457 0.82 NLRP3 (0.55) NLRP3KAT2BROCK2CAMK2D
SCHEMBL24695702 0.81 CAMK2D (0.45) NLRP3KAT2BCAMK2D
SCHEMBL29159546 0.81 CAMK2D (0.45) NLRP3KAT2BCAMK2D
SCHEMBL31039735 0.81 KAT2B (0.53) NLRP3KAT2BROCK2CAMK2D
SCHEMBL31039733 0.78 NLRP3 (0.41) NLRP3KAT2B
SCHEMBL25294649 0.77 KAT2B (0.45) NLRP3KAT2B
SCHEMBL25294648 0.77 KAT2B (0.45) NLRP3KAT2B
SCHEMBL31039739 0.77 NLRP3 (0.56) NLRP3KAT2BHTR1A

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
EP-4630417-A1 NOVEL COMPOUNDS AS MODULATORS OF NLRP3 INHIBITION F. Hoffmann-La Roche AG (CH) 2025-10-15 EP disclosed
WO-2024121086-A1 NOVEL COMPOUNDS AS MODULATORS OF NLRP3 INHIBITION F. HOFFMANN-LA ROCHE AG (CH) 2024-06-13 WO disclosed