SCHEMBL29015396

SCHEMBL29015396

COC(=O)C(=Cc1ccccc1Oc1ccccc1)N=[N+]=[N-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.45
▸ HPGD P15428 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 7/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ GAA P10253 2/20 0.43
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ TLR4 O00206 1/20 0.37
▸ TLR2 O60603 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ PKM P14618 1/20 0.36
▸ PLIN1 O60240 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 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
SCHEMBL23709914 0.92 LMNA (0.47) HTTHPGDALDH1A1LMNAKMT2A
SCHEMBL23709923 0.91 HTT (0.48) HTTHPGDALDH1A1LMNAKMT2A
SCHEMBL23709928 0.88 LMNA (0.51) HTTLMNAKMT2ACYP1A2CYP2C19
SCHEMBL29015560 0.87 HTT (0.49) HTTHPGDALDH1A1LMNAKMT2A
SCHEMBL14337628 0.87 MAPT (0.48) ALDH1A1LMNAKMT2AGAARAB9A
SCHEMBL20536123 0.86 L3MBTL1 (0.39) HTTLMNAKMT2ACYP1A2CYP2C9
SCHEMBL20536125 0.86 L3MBTL1 (0.39) HTTLMNAKMT2ACYP1A2CYP2C9
SCHEMBL20536506 0.85 MAPT (0.37) HPGDALDH1A1LMNAKMT2AGAA
SCHEMBL20535345 0.82 MAPT (0.35) HTTHPGDALDH1A1LMNAKMT2A
SCHEMBL20535348 0.82 MAPT (0.35) HTTHPGDALDH1A1LMNAKMT2A

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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