SCHEMBL26435853

SCHEMBL26435853

CC1(O)CC(N2CCCC(Nc3nnc(-c4ccc(C(F)(F)F)cc4O)c4cccnc34)C2)C1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IL1B P01584 15/20 0.53
NLRP3 Q96P20 7/20 0.50
TNF P01375 2/20 0.46
KCNH2 Q12809 1/20 0.40

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
SCHEMBL26435900 0.94 IL1B (0.53) IL1BNLRP3TNFKCNH2
SCHEMBL26435643 0.90 IL1B (0.55) IL1BNLRP3TNFKCNH2
SCHEMBL26437108 0.90 NLRP3 (0.46) IL1BNLRP3TNF
SCHEMBL30624633 0.89 IL1B (0.58) IL1BNLRP3KCNH2
SCHEMBL26435364 0.89 NLRP3 (0.51) IL1BNLRP3
SCHEMBL26435878 0.88 IL1B (0.44) IL1BNLRP3
SCHEMBL24574849 0.86 NLRP3 (0.65) IL1BNLRP3TNFKCNH2
SCHEMBL30375097 0.86 NLRP3 (0.65) IL1BNLRP3TNFKCNH2
SCHEMBL26089951 0.86 NLRP3 (0.65) IL1BNLRP3TNFKCNH2
SCHEMBL30624971 0.86 IL1B (0.51) 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 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