SCHEMBL30833991

SCHEMBL30833991

Cc1cc(N[C@H]2CCCC[C@H]2O)nnc1Cl

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IL1B P01584 2/20 0.45
TNF P01375 1/20 0.45
KCNH2 Q12809 3/20 0.38
NLRP3 Q96P20 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SYK P43405 5/20 0.36
HTR1A P08908 2/20 0.36
CYP2D6 P10635 1/20 0.36
IRAK4 Q9NWZ3 4/20 0.36
IDH1 O75874 1/20 0.36
S1PR1 P21453 1/20 0.34
CCNT1 O60563 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
SCHEMBL30833874 1.00 IL1B (0.45) IL1BTNFKCNH2NLRP3KDM4E
SCHEMBL26943723 1.00 IL1B (0.45) IL1BTNFKCNH2NLRP3KDM4E
SCHEMBL26943683 0.78 TYRO3 (0.38) IL1BTNF
SCHEMBL26437406 0.77 IL1B (0.43) IL1BTNFKCNH2NLRP3SYK
SCHEMBL30375383 0.77 IL1B (0.43) IL1BTNFKCNH2NLRP3SYK
SCHEMBL26092068 0.77 IL1B (0.43) IL1BTNFKCNH2NLRP3SYK
SCHEMBL30834044 0.75 SYK (0.47) KCNH2NLRP3KDM4EMEN1NPC1
SCHEMBL26437415 0.73 IL1B (0.43) IL1BTNFKCNH2NLRP3SYK
SCHEMBL26089652 0.73 IL1B (0.43) IL1BTNFKCNH2NLRP3SYK
SCHEMBL26091725 0.72 IL1B (0.49) IL1BTNFKCNH2NLRP3SYK

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