SCHEMBL30833969

SCHEMBL30833969

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 8/20 0.46
IL1B P01584 3/20 0.41
USP30 Q70CQ3 2/20 0.37
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
PIM1 P11309 2/20 0.35
PIM2 Q9P1W9 2/20 0.35
EHMT2 Q96KQ7 1/20 0.35
BRD4 O60885 1/20 0.35
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35
GABRA5 P31644 1/20 0.35

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
SCHEMBL30893688 1.00 NLRP3 (0.46) NLRP3IL1BUSP30CNR1CNR2
SCHEMBL30488607 0.92 NLRP3 (0.38) NLRP3USP30CNR1CNR2PIM1
SCHEMBL30488499 0.92 NLRP3 (0.38) NLRP3USP30CNR1CNR2PIM1
SCHEMBL29030561 0.92 NLRP3 (0.38) NLRP3USP30CNR1CNR2PIM1
SCHEMBL29030563 0.92 NLRP3 (0.38) NLRP3USP30CNR1CNR2PIM1
SCHEMBL30833963 0.91 IL1B (0.44) NLRP3IL1BUSP30BRD4
SCHEMBL30833954 0.91 IL1B (0.44) NLRP3IL1BUSP30BRD4
SCHEMBL30893682 0.90 NLRP3 (0.46) NLRP3IL1BUSP30CNR1CNR2
SCHEMBL30893678 0.89 NLRP3 (0.45) NLRP3IL1BUSP30CNR1CNR2
SCHEMBL30834021 0.89 NLRP3 (0.45) NLRP3IL1BUSP30CNR1CNR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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