SCHEMBL26435307

SCHEMBL26435307

CC1(O)CC(N2CCCC(Nc3nnc(-c4ccc(Cl)cc4O)c4ccccc34)C2)C1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 10/20 0.47
IL1B P01584 7/20 0.47
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
CAMK2D Q13557 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
SCHEMBL26435083 0.90 NLRP3 (0.56) NLRP3IL1BKDM4EHSD17B10ALDH1A1
SCHEMBL26435878 0.89 IL1B (0.44) NLRP3IL1BCAMK2D
SCHEMBL26435057 0.89 NLRP3 (0.49) NLRP3IL1BKDM4EHSD17B10ALDH1A1
SCHEMBL26437141 0.88 NLRP3 (0.59) NLRP3IL1BKDM4EHSD17B10ALDH1A1
SCHEMBL30624984 0.84 IL1B (0.63) NLRP3IL1BKDM4EHSD17B10ALDH1A1
SCHEMBL26435305 0.84 IL1B (0.63) NLRP3IL1BKDM4EHSD17B10ALDH1A1
SCHEMBL30108751 0.84 IL1B (0.66) NLRP3IL1B
SCHEMBL26092302 0.84 IL1B (0.66) NLRP3IL1B
SCHEMBL30214838 0.84 IL1B (0.66) NLRP3IL1B
SCHEMBL26092308 0.84 IL1B (0.66) NLRP3IL1B

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
WO-2023066377-A1 NITROGEN-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 索智生物科技(浙江)有限公司 2023-04-27 WO disclosed