SCHEMBL8090562

SCHEMBL8090562

Cc1c(C#N)n[nH]c1OC(N)=O

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
EPHX2 P34913 1/20 0.31
LRRK2 Q5S007 1/20 0.30

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
SCHEMBL8079176 0.82 LRRK2 (0.32) GAAEPHX2LRRK2
SCHEMBL8087588 0.71 PRMT5 (0.31)
SCHEMBL8087600 0.70 GAA (0.34) GAA
SCHEMBL22890673 0.67 HSD17B10 (0.48) GAA
SCHEMBL15554853 0.65
SCHEMBL12000340 0.65
SCHEMBL6652064 0.62 GAA (0.56) GAA
SCHEMBL12050434 0.61 EPHX2 (0.33) EPHX2
SCHEMBL7401096 0.61 HCAR2 (0.31)
SCHEMBL11526298 0.60 LMNA (0.33)

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-1051431-A1 THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-11-15 EP disclosed
WO-1999037668-A1 THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1999-07-29 WO disclosed