SCHEMBL30168855

SCHEMBL30168855

Nc1ccc(C2=CCOCC2)c(F)c1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KEAP1 Q14145 1/20 0.34
▸ NFE2L2 Q16236 1/20 0.34
▸ MAPK14 Q16539 2/20 0.34
▸ PDE3B Q13370 1/20 0.32
▸ PDE3A Q14432 1/20 0.32
▸ IDH2 P48735 1/20 0.32
▸ CDC7 O00311 1/20 0.30
▸ CDK2 P24941 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
SCHEMBL21032565 1.00 MEN1 (0.34) MEN1USP2KMT2AKEAP1NFE2L2
SCHEMBL31570546 0.86 MEN1 (0.35) MEN1USP2KMT2AKEAP1NFE2L2
SCHEMBL30056973 0.78 MAPK14 (0.32) MAPK14PDE3BPDE3A
SCHEMBL29516860 0.76 S100A4 (0.37) KMT2AMAPK14
SCHEMBL25529496 0.76 S100A4 (0.37) KMT2AMAPK14
SCHEMBL20764947 0.72 TDP1 (0.38) MEN1KMT2AMAPK14PDE3BPDE3A
SCHEMBL30439702 0.72 TDP1 (0.38) MEN1KMT2AMAPK14PDE3BPDE3A
SCHEMBL26162649 0.71 GRIN2D (0.37) MAPK14PDE3BPDE3AIDH2
SCHEMBL31094848 0.70 MAPT (0.57) MEN1KMT2AMAPK14
SCHEMBL19175120 0.70 AR (0.46) MAPK14PDE3BPDE3AIDH2

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-111655690-B Pyrazolopyridinone compounds 詹森药业有限公司 2023-01-10 — — CN disclosed
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