SCHEMBL24575124

SCHEMBL24575124

Cc1cc(C)c(-c2nnc(N[C@@H]3CCCN(C)C3)c3c2CCCC3)c(O)c1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IL1B P01584 14/20 0.63
NLRP3 Q96P20 11/20 0.60

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
SCHEMBL24840440 0.98 IL1B (0.63) IL1BNLRP3
SCHEMBL24840757 0.98 IL1B (0.63) IL1BNLRP3
SCHEMBL24575137 0.91 IL1B (0.58) IL1BNLRP3
SCHEMBL24575123 0.91 IL1B (0.62) IL1BNLRP3
SCHEMBL24575134 0.88 IL1B (0.82) IL1BNLRP3
SCHEMBL24840268 0.86 NLRP3 (0.69) IL1BNLRP3
SCHEMBL30108747 0.86 NLRP3 (0.69) IL1BNLRP3
SCHEMBL24575132 0.86 NLRP3 (0.69) IL1BNLRP3
SCHEMBL30108759 0.85 NLRP3 (0.68) IL1BNLRP3
SCHEMBL28934481 0.85 NLRP3 (0.68) IL1BNLRP3

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-2022135567-A1 PYRIDAZINE-CONTAINING COMPOUND AND MEDICINAL USE THEREOF 上海拓界生物医药科技有限公司 2022-06-30 WO disclosed