SCHEMBL26434686

SCHEMBL26434686

Cc1cc(Cl)cc(O)c1-c1cnc(NC2CCCN(C(C)CO)C2)nn1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IL1B P01584 15/20 0.49
NLRP3 Q96P20 11/20 0.44
TNF P01375 2/20 0.42
KCNH2 Q12809 1/20 0.41

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
SCHEMBL26434690 0.92 IL1B (0.50) IL1BNLRP3TNFKCNH2
SCHEMBL26090643 0.92 IL1B (0.50) IL1BNLRP3TNFKCNH2
SCHEMBL30375496 0.92 IL1B (0.50) IL1BNLRP3TNFKCNH2
SCHEMBL26434593 0.90 IL1B (0.62) IL1BNLRP3TNFKCNH2
SCHEMBL26438132 0.90 IL1B (0.62) IL1BNLRP3TNFKCNH2
SCHEMBL26090055 0.84 IL1B (0.57) IL1BNLRP3
SCHEMBL26090051 0.84 IL1B (0.57) IL1BNLRP3
SCHEMBL30374745 0.84 IL1B (0.57) IL1BNLRP3
SCHEMBL26434872 0.83 IL1B (0.49) IL1BNLRP3TNFKCNH2
SCHEMBL26434583 0.80 NLRP3 (0.48) IL1BNLRP3TNFKCNH2

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