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Sugi Predict / Compounds / SCHEMBL26435896

SCHEMBL26435896

SCHEMBL26435896

CC1(O)CC(Nc2nnc(-c3ccc(Cl)cc3O)c3ncccc23)C1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IL1B P01584 9/20 0.58
▸ NLRP3 Q96P20 5/20 0.46
▸ TNF P01375 2/20 0.41
▸ CHEK2 O96017 1/20 0.34
▸ ROCK2 O75116 2/20 0.33
▸ GLO1 Q04760 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ KDR P35968 1/20 0.32

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
SCHEMBL26435876 0.92 IL1B (0.58) IL1BNLRP3TNFCHEK2ROCK2
SCHEMBL26436033 0.89 NLRP3 (0.46) IL1BNLRP3TNFCHEK2ROCK2
SCHEMBL30624984 0.86 IL1B (0.63) IL1BNLRP3TNFCHEK2KDM4E
SCHEMBL26435305 0.86 IL1B (0.63) IL1BNLRP3TNFCHEK2KDM4E
SCHEMBL26436168 0.86 IL1B (0.48) IL1BNLRP3TNFKDM4E
SCHEMBL24575106 0.85 NLRP3 (0.65) IL1BNLRP3TNFCHEK2KDM4E
SCHEMBL30375088 0.85 NLRP3 (0.65) IL1BNLRP3TNFCHEK2KDM4E
SCHEMBL26092562 0.85 NLRP3 (0.65) IL1BNLRP3TNFCHEK2KDM4E
SCHEMBL26435894 0.85 IL1B (0.39) IL1BNLRP3CHEK2ROCK2GLO1
SCHEMBL26437127 0.81 IL1B (0.45) IL1BNLRP3TNFROCK2KDM4E

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