SCHEMBL25859262

SCHEMBL25859262

CNc1cc(C)c(-c2ccc(C#CBr)cc2O)nn1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IL1B P01584 7/20 0.43
NLRP3 Q96P20 10/20 0.42
TNF P01375 2/20 0.38
CHRM1 P11229 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
SCHEMBL25857850 0.89 NLRP3 (0.42) IL1BNLRP3TNFCHRM1
SCHEMBL25859574 0.85 NLRP3 (0.43) IL1BNLRP3TNFCHRM1
SCHEMBL25859161 0.84 NLRP3 (0.46) IL1BNLRP3TNFCHRM1
SCHEMBL25856428 0.82 NLRP3 (0.36) IL1BNLRP3TNF
SCHEMBL25859445 0.81 NLRP3 (0.35) IL1BNLRP3
SCHEMBL30833885 0.81 IL1B (0.72) IL1BNLRP3TNF
SCHEMBL25864813 0.77 IL1B (0.74) IL1BNLRP3
SCHEMBL25859435 0.75 IL1B (0.40) IL1BNLRP3TNFCHRM1
SCHEMBL25861786 0.74 IL1B (0.39) IL1BNLRP3TNFCHRM1
SCHEMBL31495989 0.73 NLRP3 (0.39) IL1BNLRP3TNFCHRM1

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-2023131277-A1 NLRP3 INFLAMMASOME INHIBITOR AND USES THEREOF 药捷安康(南京)科技股份有限公司 2023-07-13 WO disclosed