SCHEMBL28396680

SCHEMBL28396680

CN1CCn2ncc(OC(N)=O)c2C1=O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 1/20 0.39
▸ ALOX5 P09917 2/20 0.34
▸ ALOX5AP P20292 2/20 0.34
▸ FEN1 P39748 2/20 0.34
▸ POLB P06746 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL28392372 0.74 ALOX5 (0.35) ALOX5ALOX5APFEN1
SCHEMBL20400046 0.73 NLRP3 (0.39) NLRP3ALOX5ALOX5APFEN1
SCHEMBL20939381 0.72 NLRP3 (0.42) NLRP3ALOX5ALOX5APFEN1
SCHEMBL22193802 0.70 NLRP3 (0.36) NLRP3ALOX5ALOX5APFEN1POLB
SCHEMBL18209681 0.70 ALOX5 (0.48) NLRP3ALOX5ALOX5APFEN1POLB
SCHEMBL20400392 0.69 NLRP3 (0.48) NLRP3ALOX5ALOX5APFEN1
SCHEMBL28975895 0.69 ALDH1A1 (0.33) POLB
SCHEMBL24978765 0.68 NLRP3 (0.37) NLRP3ALOX5ALOX5APFEN1
SCHEMBL22021007 0.68 NLRP3 (0.40) NLRP3ALOX5ALOX5APFEN1
SCHEMBL20828220 0.68 ALOX5 (0.41) NLRP3ALOX5ALOX5APFEN1POLB

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-107646036-B Pyrazole derivatives useful as inhibitors of 5-lipoxygenase activating protein (FLAP) 阿斯利康(瑞典)有限公司 2020-05-19 — — CN disclosed
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