SCHEMBL8596756

SCHEMBL8596756

COc1c(C)c(N)nn1C

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GAA P10253 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
SCHEMBL8025227 0.79
SCHEMBL12856389 0.76 ADORA2A (0.33) GAA
SCHEMBL8197414 0.75 SCN9A (0.35)
SCHEMBL22083510 0.73
SCHEMBL18197997 0.70
SCHEMBL219198 0.70
SCHEMBL21721377 0.70
SCHEMBL12920889 0.69 ADORA1 (0.37)
Hydrochloric Acid SCHEMBL922698 0.69 GAA (0.56) GAA
SCHEMBL20517099 0.67

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
EP-0923558-A1 SUBSTITUTED 1-(3-PYRAZOLYL)-PYRAZOLES BAYER AG (DE) 1999-06-23 EP disclosed
WO-1998006702-A1 SUBSTITUTED 1-(3-PYRAZOLYL)-PYRAZOLES BAYER AKTIENGESELLSCHAFT (DE) 1998-02-19 WO disclosed