SCHEMBL20184758

SCHEMBL20184758

N=C(N)c1ccc(NC(=O)c2cc3ccc(C(=N)N)cc3o2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 6/20 0.58
PLG P00747 5/20 0.58
PLAU P00749 5/20 0.58
KLKB1 P03952 5/20 0.58
F2 P00734 5/20 0.58
ITGB3 P05106 1/20 0.58
ITGA2B P08514 1/20 0.58
NPC1 O15118 5/20 0.58
RAB9A P51151 5/20 0.58
TP53 P04637 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
PLAT P00750 4/20 0.56
KLK1 P06870 1/20 0.55
PKM P14618 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
PRSS2 P07478 1/20 0.51

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
SCHEMBL8716123 0.85 ITGB3 (0.55) PRSS1PLGPLAUKLKB1F2
SCHEMBL8715620 0.80 PLAU (0.47) PRSS1PLGPLAUKLKB1F2
SCHEMBL8716521 0.79 PRMT1 (0.59) PLAUF2ITGB3ITGA2BPRMT1
SCHEMBL8718459 0.78 ITGB3 (0.57) PRSS1PLGPLAUKLKB1F2
Hydrochloric Acid SCHEMBL8713031 0.78 PRMT1 (0.58) PLAUF2ITGB3ITGA2BPRMT1
SCHEMBL8904666 0.77 ITGB3 (0.62) PRSS1PLGPLAUKLKB1F2
SCHEMBL8904811 0.75 ITGB3 (0.60) PRSS1PLGPLAUKLKB1F2
SCHEMBL8717795 0.75 F2 (0.57) PRSS1PLGPLAUKLKB1F2
SCHEMBL8718457 0.75 PLG (0.55) PRSS1PLGPLAUKLKB1F2
SCHEMBL8718116 0.75 F2 (0.52) PRSS1PLGPLAUKLKB1F2

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
EP-1945209-B1 BROAD SPECTRUM ANTIBACTERIAL COMPOUNDS US GOV AS REPRESENTED BY THE SECRETARY OF THE UNITED STATES ARMY AND THE U S ARMY MEDICAL RESEARCH (US) 2018-05-30 EP disclosed