SCHEMBL29557696

SCHEMBL29557696

Cn1cnc2c1c(=O)n(CC(=O)OCc1ccccc1)c(=O)n2C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 5/20 0.65
▸ TNF P01375 4/20 0.60
▸ TSHR P16473 2/20 0.54
▸ LMNA P02545 2/20 0.54
▸ USP2 O75604 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ NFKB1 P19838 1/20 0.54
▸ ACHE P22303 1/20 0.54
▸ PDE4A P27815 1/20 0.54
▸ PMP22 Q01453 1/20 0.54
▸ PDE4B Q07343 1/20 0.54
▸ PDE4C Q08493 1/20 0.54
▸ PDE4D Q08499 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ RXFP1 Q9HBX9 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ HPGD P15428 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL29854228 0.89 ADORA2B (0.65) ADORA2BTNFTSHRLMNAUSP2
SCHEMBL10394509 0.80 MAPK1 (0.73) ADORA2BSMN1; SMN2RXFP1MEN1KMT2A
SCHEMBL356160 0.79 ADORA2B (1.00) ADORA2BTNFTSHRLMNAUSP2
SCHEMBL9392195 0.79 POLB (0.65) ADORA2BTNFTSHRLMNAUSP2
SCHEMBL25248792 0.79 ADORA2B (0.62) ADORA2BTNFTSHRLMNAUSP2
Iodide SCHEMBL28480464 0.78 MAPK1 (0.72) ADORA2BSMN1; SMN2RXFP1MEN1KMT2A
SCHEMBL13659013 0.78 ALDH1A1 (0.53) ADORA2BTSHRSMN1; SMN2RXFP1ALDH1A1
SCHEMBL25248989 0.78 ADORA2B (0.68) ADORA2BTNFTSHRLMNAUSP2
SCHEMBL8649006 0.78 TNF (0.52) ADORA2BTNFTSHRLMNAUSP2
SCHEMBL20863739 0.77 ADORA2B (1.00) ADORA2BTNFTSHRLMNAUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240094220-A1 ENGINEERING BACILLUS SUBTILIS AS A VERSATILE AND STABLE PLATFORM FOR PRODUCTION OF NANOBODIES NORTHEASTERN UNIVERSITY 2024-03-21 — — US disclosed
EP-4041296-A1 ENGINEERING BACILLUS SUBTILIS AS A VERSATILE AND STABLE PLATFORM FOR PRODUCTION OF NANOBODIES Northeastern University (US) 2022-08-17 — — EP disclosed
CN-111748571-B Method for engineering bacillus subtilis into multifunctional stable platform for producing nano antibody 浙江禾霖生物科技有限公司 2022-05-03 — — CN disclosed
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