SCHEMBL8200611

SCHEMBL8200611

N#CN=C(N)N(CCOCCNC(=O)N(c1ccccc1)c1ccccc1)c1ccncc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.33
HSD17B10 Q99714 1/20 0.33
QPCT Q16769 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PTGIR P43119 1/20 0.32
F2 P00734 2/20 0.31
LMNA P02545 1/20 0.31
CHRM2 P08172 1/20 0.31
ACHE P22303 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
SCHEMBL8200614 0.79 IKBKB (0.38) USP2HSD17B10SMN1; SMN2LMNA
SCHEMBL8195686 0.79 KDM4E (0.30)
SCHEMBL8200604 0.73 NAMPT (0.35) QPCTSMN1; SMN2PTGIRLMNA
SCHEMBL8200607 0.72 L3MBTL1 (0.36) USP2HSD17B10LMNAACHE
SCHEMBL809997 0.71 PLG (0.33)
SCHEMBL810674 0.71 PLG (0.33)
SCHEMBL3663531 0.69 MAOA (0.41)
SCHEMBL16286368 0.67 FEN1 (0.39)
SCHEMBL8207909 0.65 LTA4H (0.36)
SCHEMBL13277280 0.65 POLB (0.31) SMN1; SMN2ACHE

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

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