SCHEMBL7919941

SCHEMBL7919941

C=C(N=C(N)N)c1ccc2cccc(-c3nccc4ccccc34)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 7/20 0.41
PLG P00747 6/20 0.41
F2 P00734 3/20 0.39
HTR5A P47898 3/20 0.38
BCHE P06276 1/20 0.36
PLAT P00750 3/20 0.35
KLK1 P06870 2/20 0.35
PRSS1 P07477 2/20 0.35
NPC1 O15118 2/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
MAOA P21397 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
F12 P00748 1/20 0.34
NCF1 P14598 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
BACE1 P56817 1/20 0.34

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
SCHEMBL16502809 0.86 HTR5A (0.53) PLAUF2HTR5AHTR2AHTR7
SCHEMBL7915669 0.84 HTR5A (0.41) PLAUPLGF2HTR5APLAT
SCHEMBL7917427 0.82 F2 (0.41) PLAUPLGF2BCHENPC1
SCHEMBL12874632 0.81 PLAU (0.46) PLAUPLGF2HTR5APLAT
SCHEMBL7916046 0.81 HTR5A (0.39) PLAUPLGF2HTR5APLAT
SCHEMBL7916601 0.81 TNF (0.43) PLAUPLGF2HTR5APLAT
SCHEMBL16502684 0.77 PLAU (0.50) PLAUF2BCHENPC1MAPT
SCHEMBL7918769 0.77 CNR2 (0.39) PLAUPLGF2PLATKLK1
SCHEMBL16502716 0.73 ALDH1A1 (0.48) PLAUF2NPC1MAPTRAB9A
SCHEMBL7923307 0.73 CHEK1 (0.35) PLAUPLGF2HTR5APLAT

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-2010090304-A1 ACYLGUANIDINE DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-12 WO disclosed