SCHEMBL27143602

SCHEMBL27143602

CNc1cnccc1NC(=O)C1(OC(N)=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.41
AOC1 P19801 2/20 0.36
AOC3 Q16853 2/20 0.36
MAP2K3 P46734 1/20 0.33
MAPK14 Q16539 1/20 0.33
NOD2 Q9HC29 1/20 0.32
HIF1A Q16665 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
SIRT3 Q9NTG7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31

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
SCHEMBL27147088 0.74 KDM4C (0.47) KDM4CAOC1AOC3CYP11B1CYP11B2
SCHEMBL143257 0.69 NAMPT (0.32) KDM4CHIF1AKDM4E
SCHEMBL28674191 0.67 MEN1 (0.44) ALDH1A1GAA
SCHEMBL23671318 0.67 NQO1 (0.35) KDM4E
SCHEMBL9413722 0.67 KDM4C (0.46) KDM4CKDM4EGAASIRT3TDP1
SCHEMBL4754435 0.66 AOC1 (0.57) KDM4CAOC1AOC3KDM4ECA12
SCHEMBL30448578 0.66 AOC1 (0.57) KDM4CAOC1AOC3KDM4ECA12
SCHEMBL3569822 0.66 SIRT3 (0.61) KDM4CAOC1AOC3MAP2K3MAPK14
SCHEMBL17723987 0.65 KDM4C (0.71) KDM4CAOC1AOC3MAP2K3MAPK14
SCHEMBL28674177 0.62 FAAH (0.48) GAA

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-2024044098-A2 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2024-02-29 WO disclosed