SCHEMBL9302930

SCHEMBL9302930

N=C(N)Nc1cccc(C(=O)Nc2ccc3ccccc3c2C(=N)N)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.51
PLAU P00749 6/20 0.48
F2 P00734 3/20 0.48
PRSS1 P07477 3/20 0.48
PLG P00747 2/20 0.48
PLAT P00750 2/20 0.48
KLKB1 P03952 2/20 0.48
KLK1 P06870 1/20 0.48
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
GAA P10253 1/20 0.44
F10 P00742 1/20 0.43
KCNK3 O14649 1/20 0.43

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
SCHEMBL9302652 0.86 PLAU (0.48) PLAUF2PRSS1PLGPLAT
SCHEMBL9304163 0.83 PTGES (0.54) PTGESPLAUF2PRSS1PLG
SCHEMBL9303249 0.82 PLAU (0.60) PTGESPLAUF2PRSS1PLG
SCHEMBL9302845 0.82 PTGES (0.52) PTGESPLAUF2PRSS1PLG
SCHEMBL9303515 0.81 PTGES (0.48) PTGESPLAUF2PRSS1PLG
SCHEMBL7339868 0.81 RXFP1 (0.45) PTGESF2NPC1RAB9AMEN1
SCHEMBL9304320 0.81 PLAU (0.50) PTGESPLAUF2PRSS1PLG
SCHEMBL8536776 0.80 PKM (0.47) PTGESPLAUF2PRSS1PLG
SCHEMBL9304048 0.79 SIRT2 (0.55) PTGESPLAUF2PRSS1PLG
SCHEMBL9305495 0.79 PLAU (0.54) PTGESPLAUF2PRSS1PLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5352704-A Antiviral agents BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-10-04 US disclosed
EP-0434432-B1 Guanidinobenzene derivatives BANYU PHARMA CO LTD (JP) 1994-05-04 EP disclosed
EP-0434432-A1 Guanidinobenzene derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-06-26 EP disclosed