SCHEMBL30488564

SCHEMBL30488564

CCOCOc1cc(C=O)ccc1-c1nnc(N[C@@H]2CCCNC2)cc1C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 8/20 0.42
IL1B P01584 5/20 0.36
EHMT2 Q96KQ7 1/20 0.36
CCNK O75909 4/20 0.35
CDK12 Q9NYV4 4/20 0.35
CDK2 P24941 4/20 0.35
CCNT1 O60563 3/20 0.35
CCNE1 P24864 3/20 0.35
CDK9 P50750 3/20 0.35
CDK7 P50613 2/20 0.35
CCNH P51946 2/20 0.35
MNAT1 P51948 2/20 0.35
BRD4 O60885 1/20 0.35
MAPKAPK2 P49137 2/20 0.33
ERN1 O75460 1/20 0.33
CHEK2 O96017 1/20 0.33

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
SCHEMBL25302745 1.00 NLRP3 (0.42) NLRP3IL1BEHMT2CCNKCDK12
SCHEMBL25302741 1.00 NLRP3 (0.42) NLRP3IL1BEHMT2CCNKCDK12
SCHEMBL30488544 1.00 NLRP3 (0.42) NLRP3IL1BEHMT2CCNKCDK12
SCHEMBL30517866 0.90 FLT3 (0.33) NLRP3IL1BEHMT2CCNKCDK12
SCHEMBL30834023 0.86 NLRP3 (0.43) NLRP3IL1BEHMT2CCNKCDK12
SCHEMBL30834000 0.85 NLRP3 (0.42) NLRP3IL1BEHMT2CCNKCDK12
SCHEMBL25299226 0.84 IL1B (0.54) NLRP3IL1B
SCHEMBL25299227 0.84 IL1B (0.54) NLRP3IL1B
SCHEMBL30488560 0.84 IL1B (0.54) NLRP3IL1B
SCHEMBL31197268 0.84 EHMT2 (0.35) NLRP3EHMT2CCNKCDK12CDK2

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