SCHEMBL30833903

SCHEMBL30833903

COCCN1CCC[C@@H](Nc2cc(C3CC3)c(Cl)nn2)C1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 5/20 0.53
CCNT1 O60563 2/20 0.42
CDK9 P50750 2/20 0.42
CCNK O75909 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
CDK7 P50613 1/20 0.42
CCNH P51946 1/20 0.42
MNAT1 P51948 1/20 0.42
CDK12 Q9NYV4 1/20 0.42
IL1B P01584 5/20 0.38
NLRP3 Q96P20 8/20 0.37
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
KDM2B Q8NHM5 1/20 0.35
KCNH2 Q12809 1/20 0.35
INSR P06213 1/20 0.35
ALK Q9UM73 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
SCHEMBL30833953 0.86 NLRP3 (0.47) KAT2BIL1BNLRP3KCNH2
SCHEMBL31021469 0.85 NLRP3 (0.48) KAT2BIL1BNLRP3KCNH2
SCHEMBL25303027 0.82 IL1B (0.53) KAT2BIL1BNLRP3
SCHEMBL25255553 0.82 IL1B (0.53) KAT2BIL1BNLRP3
SCHEMBL30834003 0.78 IL1B (0.52) KAT2BIL1BNLRP3
SCHEMBL30833956 0.77 NLRP3 (0.53) KAT2BCCNT1CDK9CCNKCCNE1
SCHEMBL31039735 0.75 KAT2B (0.53) KAT2BCCNT1CDK9CCNKCCNE1
SCHEMBL31197249 0.74 IL1B (0.46) KAT2BIL1BNLRP3KCNH2
SCHEMBL25303253 0.73 NLRP3 (0.55) IL1BNLRP3KCNH2
SCHEMBL25254731 0.73 NLRP3 (0.55) IL1BNLRP3KCNH2

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