SCHEMBL8560853

SCHEMBL8560853

C#CCn1c(C)nn([CH2])c1=O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 5/20 0.36
GLA P06280 1/20 0.36
BLM P54132 1/20 0.36
ADORA3 P0DMS8 4/20 0.35
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL8560855 0.81 ADORA2B (0.41) ADORA2BGLABLMADORA3
SCHEMBL12318695 0.75 ADORA3 (0.34) ADORA2BGLABLMADORA3
SCHEMBL2407254 0.75 ADORA2B (0.34) ADORA2BGLABLMADORA3
SCHEMBL1629499 0.67 ADORA2B (0.39) ADORA2BGLABLMADORA3LMNA
SCHEMBL22899000 0.63 ADORA2B (0.49) ADORA2BGLABLMADORA3
SCHEMBL21531890 0.63 ADORA2B (0.38) ADORA2BGLABLMADORA3RAB9A
SCHEMBL22899003 0.63 ADORA2B (0.49) ADORA2BGLABLMADORA3
SCHEMBL22899015 0.63 ADORA2B (0.38) ADORA2BGLABLMADORA3RAB9A
SCHEMBL13217030 0.62 ADORA2B (0.38) ADORA2BGLABLMADORA3
SCHEMBL17537363 0.60 ADORA2B (0.40) ADORA2BGLABLMADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5852048-A Ester compound and a pesticidal agent containing the same as an active ingredient SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-12-22 US claimed
EP-0729949-A2 1,2,4-Triazol-3-ones as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-09-04 EP claimed
US-5852048-A Ester compound and a pesticidal agent containing the same as an active ingredient SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-12-22 US disclosed
EP-0729949-A2 1,2,4-Triazol-3-ones as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-09-04 EP disclosed