SCHEMBL8087600

SCHEMBL8087600

Cc1c(OC(N)=O)n[nH]c1C#N

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
KDM4E B2RXH2 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL8086319 0.82 LRRK2 (0.32) GAAKDM4E
SCHEMBL8090562 0.70 GAA (0.34) GAA
SCHEMBL22889780 0.67 KDM4E (0.48) GAAKDM4EHSD17B10
SCHEMBL31736680 0.62
SCHEMBL6652064 0.62 GAA (0.56) GAA
SCHEMBL28702087 0.62 GAA (0.34) GAAHSD17B10
SCHEMBL8087588 0.61 PRMT5 (0.31)
SCHEMBL22890174 0.60 PDE4D (0.67) GAAKDM4EHSD17B10
SCHEMBL11526298 0.60 LMNA (0.33)
SCHEMBL29073863 0.59 KDM4E (0.36) GAAKDM4E

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