SCHEMBL9303338

SCHEMBL9303338

N=C(N)Nc1ccc(C(=O)Nc2ccc(C(=N)N)cc2)cc1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.67
PRSS1 P07477 5/20 0.67
PRSS2 P07478 1/20 0.67
PRSS3 P35030 1/20 0.67
TMPRSS6 Q8IU80 1/20 0.67
ST14 Q9Y5Y6 1/20 0.67
PLAU P00749 10/20 0.59
PLAT P00750 9/20 0.59
PLG P00747 7/20 0.59
F10 P00742 6/20 0.59
KLKB1 P03952 4/20 0.59
MEN1 O00255 1/20 0.58
LMNA P02545 1/20 0.58
POLB P06746 1/20 0.58
PKM P14618 1/20 0.58
APEX1 P27695 1/20 0.58
KMT2A Q03164 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
KLK1 P06870 2/20 0.55
KLK5 Q9Y337 1/20 0.54

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
SCHEMBL24891830 0.94 KMT2A (0.64) F2PRSS1PRSS2PRSS3TMPRSS6
Hydrochloric Acid SCHEMBL8994029 0.92 F2 (0.71) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL10815124 0.88 PRSS1 (0.69) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL15651643 0.87 KMT2A (0.79) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL5004851 0.87 NPC1 (0.68) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL4063687 0.87 PTPN1 (0.66) F2PRSS1PLAUPLATPLG
SCHEMBL9304281 0.86 PLAU (0.61) F2PRSS1PLAUPLATPLG
SCHEMBL9303344 0.86 PLAU (0.74) F2PRSS1PLAUPLATPLG
SCHEMBL9303751 0.86 ITGB3 (0.62) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL27465968 0.86 PTPN1 (0.69) F2PRSS1PRSS2PRSS3ST14

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