SCHEMBL30833963

SCHEMBL30833963

C#Cc1ccc(-c2nnc(N[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2C(F)(F)F)c(OCOCC)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IL1B P01584 6/20 0.44
NLRP3 Q96P20 5/20 0.44
TRPV1 Q8NER1 1/20 0.38
HDAC4 P56524 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
USP30 Q70CQ3 2/20 0.36
MAPK10 P53779 2/20 0.34
P2RX7 Q99572 1/20 0.34
BRD4 O60885 1/20 0.34
AHCY P23526 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
SCHEMBL30833954 1.00 IL1B (0.44) IL1BNLRP3TRPV1HDAC4HDAC6
SCHEMBL30893688 0.91 NLRP3 (0.46) IL1BNLRP3USP30BRD4
SCHEMBL30833969 0.91 NLRP3 (0.46) IL1BNLRP3USP30BRD4
SCHEMBL30488499 0.90 NLRP3 (0.38) NLRP3USP30BRD4AHCY
SCHEMBL30488607 0.90 NLRP3 (0.38) NLRP3USP30BRD4AHCY
SCHEMBL29030561 0.90 NLRP3 (0.38) NLRP3USP30BRD4AHCY
SCHEMBL29030563 0.90 NLRP3 (0.38) NLRP3USP30BRD4AHCY
SCHEMBL30834020 0.89 IL1B (0.44) IL1BNLRP3TRPV1HDAC4HDAC6
SCHEMBL30833922 0.89 IL1B (0.44) IL1BNLRP3TRPV1HDAC4HDAC6
SCHEMBL30893689 0.85 BTK (0.41) NLRP3TRPV1HDAC4HDAC6USP30

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-4613749-A1 NLRP3 INFLAMMASOME INHIBITOR AND USE THEREOF TransThera Sciences (Nanjing), Inc. (CN) 2025-09-10 EP disclosed
CN-117986258-A NLRP3 inflammation corpuscle inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2024-05-07 CN disclosed