SCHEMBL458997

SCHEMBL458997

N=C(N)c1cccc(N)c1C(=N)N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.41
PRSS1 P07477 4/20 0.41
PLG P00747 2/20 0.41
PLAU P00749 2/20 0.41
PLAT P00750 1/20 0.41
KLK1 P06870 1/20 0.41
PRSS3 P35030 3/20 0.38
PRSS2 P07478 2/20 0.38
MMP2 P08253 1/20 0.38
F10 P00742 2/20 0.36
F12 P00748 1/20 0.36
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
PKM P14618 1/20 0.36
CYP3A4 P08684 4/20 0.35
TSHR P16473 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL28979741 0.79 MAPT (0.59) F2PRSS1PRSS3PRSS2MMP2
SCHEMBL1302674 0.79 F2 (0.42) F2PRSS1PLGPLAUPLAT
SCHEMBL183853 0.78 MAPT (0.46) F2PRSS1PLGPLAUPLAT
SCHEMBL10495291 0.77 ALDH1A1 (0.41) F2PLGPLAUPLATKLK1
Hydrochloric Acid SCHEMBL7512055 0.77 PRSS1 (0.42) F2PRSS1PLGPLAUPLAT
Hydrochloric Acid SCHEMBL1304204 0.77 PRSS1 (0.42) F2PRSS1PLGPLAUPLAT
Hydrochloric Acid SCHEMBL1313681 0.76 BLM (0.48) F2PRSS1PLGPLAUPLAT
Hydrochloric Acid SCHEMBL640309 0.76 BLM (0.48) F2PRSS1PLGPLAUPLAT
Hydrochloric Acid SCHEMBL8378249 0.76 ALOX15 (0.46) F2PRSS1PLGPLAUPLAT
Hydrochloric Acid SCHEMBL7799648 0.76 PRSS1 (0.41) F2PRSS1PLGPLAUPLAT

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-2011118818-A8 AMIDINOANILINE DERIVATIVE 味の素株式会社 (JP) 2012-01-26 WO disclosed