SCHEMBL27349798

SCHEMBL27349798

NC(=O)[C@@H](N)Cn1nnc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APAF1 O14727 1/20 0.61
▸ POLB P06746 1/20 0.61
▸ EGLN3 Q9H6Z9 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.53
▸ GAA P10253 7/20 0.52
▸ MGAM O43451 6/20 0.52
▸ AMY1A P0DUB6 6/20 0.52
▸ SI P14410 6/20 0.52
▸ MGAM2 Q2M2H8 6/20 0.52
▸ RAB9A P51151 5/20 0.52
▸ MAPT P10636 3/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ SLC9A1 P19634 3/20 0.50
▸ USP2 O75604 1/20 0.48
▸ MDM2 Q00987 1/20 0.48
▸ HCRTR1 O43613 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL5828539 0.88 APAF1 (0.69) APAF1POLBEGLN3ALDH1A1GAA
SCHEMBL5828228 0.85 APAF1 (0.58) APAF1POLBEGLN3ALDH1A1GAA
SCHEMBL23774830 0.84 APAF1 (0.76) APAF1POLBEGLN3ALDH1A1GAA
SCHEMBL9772257 0.81 APAF1 (0.59) APAF1POLBEGLN3ALDH1A1GAA
SCHEMBL21304645 0.80 APAF1 (0.75) APAF1POLBEGLN3ALDH1A1GAA
SCHEMBL2070662 0.78 GAA (0.67) EGLN3GAAMGAMAMY1ASI
SCHEMBL972935 0.77 APAF1 (0.62) APAF1POLBEGLN3ALDH1A1GAA
SCHEMBL13729890 0.76 APAF1 (0.78) APAF1POLBEGLN3ALDH1A1GAA
SCHEMBL30402433 0.75 APAF1 (0.56) APAF1POLBEGLN3ALDH1A1GAA
SCHEMBL26698323 0.75 EGLN3 (0.56) APAF1POLBEGLN3GAAMGAM

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-119630642-A Compounds for the treatment of coronavirus infections 特劳斯芬尼德治疗股份有限公司 2025-03-14 — — CN disclosed
WO-2023245162-A2 COMPOUNDS FOR TREATMENT A CORONAVIRUS INFECTION TRAWSFYNYDD THERAPEUTICS, INC. (US) 2023-12-21 — — WO disclosed
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