SCHEMBL28675000

SCHEMBL28675000

CN1CCCC(Nc2nncc(C(F)(F)F)c2Cl)C1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IL1B P01584 11/20 0.49
KAT2B Q92831 8/20 0.48
BPTF Q12830 1/20 0.48
NLRP3 Q96P20 2/20 0.45

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
SCHEMBL22655107 0.80 IL1B (0.60) IL1BKAT2BBPTFNLRP3
SCHEMBL22655109 0.80 IL1B (0.60) IL1BKAT2BBPTFNLRP3
SCHEMBL31367809 0.76 CHEK1 (0.45) IL1BBPTF
SCHEMBL22654862 0.75 IL1B (0.66) IL1BNLRP3
SCHEMBL22654864 0.75 IL1B (0.66) IL1BNLRP3
SCHEMBL15951534 0.74 CDK7 (0.51) IL1BKAT2BBPTFNLRP3
SCHEMBL25798976 0.73 IL1B (0.61) IL1BNLRP3
SCHEMBL30214886 0.73 KAT2B (0.50) IL1BKAT2BBPTFNLRP3
SCHEMBL30101069 0.72 KAT2B (0.44) IL1BKAT2BBPTFNLRP3
SCHEMBL30213879 0.71 KAT2B (0.57) KAT2BBPTFNLRP3

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
CN-113784957-A NLRP3 inflammasome inhibitor 诺华股份有限公司 2021-12-10 CN disclosed