SCHEMBL8195686

SCHEMBL8195686

N#CN=C(N)N(CCOCC(N)=O)c1ccncc1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 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
SCHEMBL809997 0.79 PLG (0.33)
SCHEMBL810674 0.79 PLG (0.33)
SCHEMBL8200611 0.79 USP2 (0.33)
SCHEMBL8207909 0.75 LTA4H (0.36)
SCHEMBL3664650 0.71 NEK2 (0.33) KDM4E
SCHEMBL7674132 0.71 CYP3A4 (0.46)
SCHEMBL809842 0.70 PLG (0.31)
SCHEMBL3663531 0.70 MAOA (0.41) KDM4E
SCHEMBL13277311 0.70 NAMPT (0.33)
SCHEMBL2545955 0.69 GPR119 (0.40)

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
WO-2000061561-A1 CYANOGUANIDINE COMPOUNDS SHIONOGI BIORESEARCH CORP. (US) 2000-10-19 WO claimed
WO-2000061561-A1 CYANOGUANIDINE COMPOUNDS SHIONOGI BIORESEARCH CORP. (US) 2000-10-19 WO disclosed