SCHEMBL29060253

SCHEMBL29060253

COC(=O)c1nc(O)c(Br)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MAPT P10636 5/20 0.40
▸ POLB P06746 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ VCAM1 P19320 1/20 0.40
▸ PIM3 Q86V86 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ PDGFRB P09619 1/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ PDGFRA P16234 1/20 0.39
▸ FLT1 P17948 1/20 0.39
▸ FGFR3 P22607 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ ERN1 O75460 1/20 0.39
▸ GAA P10253 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ TPMT P51580 1/20 0.37
▸ SIRT6 Q8N6T7 1/20 0.36

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
SCHEMBL29662676 1.00 NPSR1 (0.41) NPSR1L3MBTL1MAPTPOLBMEN1
SCHEMBL28500044 0.85 L3MBTL1 (0.42) NPSR1L3MBTL1MAPTPOLBMEN1
SCHEMBL29060204 0.85 MAPT (0.41) NPSR1L3MBTL1MAPTPOLBMEN1
SCHEMBL29662618 0.85 MAPT (0.41) NPSR1L3MBTL1MAPTPOLBMEN1
SCHEMBL24241501 0.80 PIM3 (0.38) NPSR1MAPTPOLBVCAM1PIM3
SCHEMBL29379156 0.80 AR (0.43) L3MBTL1KMT2APIM3KDM4EMAPK1
SCHEMBL24241054 0.80 AR (0.43) L3MBTL1KMT2APIM3KDM4EMAPK1
SCHEMBL30398167 0.80 PIM3 (0.38) NPSR1MAPTPOLBVCAM1PIM3
SCHEMBL24779889 0.78 PDGFRB (0.45) NPSR1MAPTPOLBMEN1KMT2A
SCHEMBL30843116 0.78 NPSR1 (0.44) NPSR1L3MBTL1MAPTPOLBKDM4E

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-116670140-A Macrocyclic compounds containing 1,3, 4-oxadiazole rings as modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2023-08-29 — — CN disclosed
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