SCHEMBL29015648

SCHEMBL29015648

COC(=O)C(=Cc1ccc(Cl)cc1OC(F)F)N=[N+]=[N-]

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.34
▸ MEN1 O00255 4/20 0.34
▸ MAPT P10636 4/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ GAA P10253 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ HTT P42858 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ PKM P14618 1/20 0.32
▸ POLB P06746 2/20 0.32
▸ HCRTR1 O43613 1/20 0.31
▸ F11 P03951 1/20 0.31
▸ KLKB1 P03952 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ LMNA P02545 3/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ JAK2 O60674 1/20 0.30
▸ JAK1 P23458 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
SCHEMBL24113456 0.87 MAPT (0.38) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL30009048 0.87 MAPT (0.38) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL29015469 0.83 RORC (0.36) KMT2AMEN1IRAK4
SCHEMBL24190445 0.83 RORC (0.36) KMT2AMEN1IRAK4
SCHEMBL23709904 0.83 RHEB (0.35) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL24113473 0.82 CYP11B1 (0.34) KMT2ACYP11B1ALDH1A1POLB
SCHEMBL30008870 0.82 CYP11B1 (0.34) KMT2ACYP11B1ALDH1A1POLB
SCHEMBL20536123 0.81 L3MBTL1 (0.39) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL20536125 0.81 L3MBTL1 (0.39) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL29062727 0.81 ANO1 (0.34) KMT2AMEN1CYP11B1POLBLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116096714-A Antiviral compounds for the treatment of coronavirus, picornavirus and norovirus infections 安力高医药股份有限公司 2023-05-09 — — CN disclosed
EP-4165037-A1 ANTI-VIRAL COMPOUNDS FOR TREATING CORONAVIRUS, PICORNAVIRUS, AND NOROVIRUS INFECTIONS Aligos Therapeutics, Inc. (US) 2023-04-19 — — EP disclosed
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