SCHEMBL6291371

SCHEMBL6291371

CCOCn1c(=O)c2c(ncn2C)n(C)c1=O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 8/20 0.74
▸ TNF P01375 3/20 0.63
▸ BLM P54132 2/20 0.60
▸ GLA P06280 1/20 0.60
▸ ADORA2A P29274 3/20 0.58
▸ PIK3CD O00329 1/20 0.58
▸ POLB P06746 1/20 0.58
▸ ADORA3 P0DMS8 1/20 0.58
▸ CNR1 P21554 1/20 0.58
▸ ACHE P22303 1/20 0.58
▸ ADORA1 P30542 1/20 0.58
▸ NTSR1 P30989 1/20 0.58
▸ MC3R P41968 1/20 0.58
▸ NOTUM Q6P988 1/20 0.58
▸ SIRT3 Q9NTG7 1/20 0.58
▸ GDA Q9Y2T3 1/20 0.58
▸ NR2E1 Q9Y466 1/20 0.58
▸ PDE4A P27815 2/20 0.57
▸ PDE4B Q07343 2/20 0.57
▸ PDE4C Q08493 2/20 0.57

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
SCHEMBL6291380 0.89 ADORA2A (0.69) ADORA2BTNFBLMADORA2APIK3CD
SCHEMBL29256876 0.85 ADORA2B (1.00) ADORA2BTNFBLMGLAADORA2A
SCHEMBL27556412 0.85 ADORA2B (0.54) ADORA2BTNFBLMGLAADORA2A
SCHEMBL516446 0.83 ADORA2A (0.74) ADORA2BTNFBLMGLAADORA2A
Bisdionin B SCHEMBL29896692 0.83 ADORA2B (0.74) ADORA2BTNFBLMGLAADORA2A
SCHEMBL315740 0.82 ADORA2B (0.82) ADORA2BTNFBLMGLAADORA2A
SCHEMBL10018599 0.82 ADORA2B (0.72) ADORA2BTNFBLMGLAADORA2A
SCHEMBL7456005 0.81 ADORA2B (0.55) ADORA2BTNFBLMADORA2APOLB
Bisdionin C SCHEMBL10018600 0.80 CHIT1 (0.75) ADORA2BTNFBLMGLAADORA2A
Bisdionin D SCHEMBL16120988 0.80 ADORA2B (0.79) ADORA2BTNFBLMGLAADORA2A

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
US-6916975-B1 Soybean variety 92M10 PIONEER HI-BRED INTERNATIONAL, INC. (US) 2005-07-12 — — US disclosed
Send feedback