SCHEMBL9302787

SCHEMBL9302787

N=C(N)c1cccc2ccc(NC(=O)c3ccccc3N=C(N)N)cc12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLAU P00749 10/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
DEGS1 O15121 1/20 0.44
TMPRSS2 O15393 1/20 0.43
KLK1 P06870 3/20 0.43
KLK5 Q9Y337 1/20 0.43
PLG P00747 5/20 0.43
PLAT P00750 3/20 0.43
F10 P00742 3/20 0.43
F2 P00734 2/20 0.43
KLK6 Q92876 2/20 0.42

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
SCHEMBL9303538 0.92 DEGS1 (0.46) PLAUNPC1RAB9AMEN1KMT2A
SCHEMBL9303517 0.83 PLAU (0.58) PLAUNPC1RAB9AMEN1KMT2A
SCHEMBL9304147 0.83 DEGS1 (0.44) PLAUNPC1RAB9AMEN1KMT2A
SCHEMBL9304170 0.82 PLAU (0.54) PLAUNPC1RAB9AMEN1KMT2A
SCHEMBL9302799 0.81 RXFP1 (0.50) PLAUNPC1RAB9AMEN1KMT2A
SCHEMBL9303967 0.81 KCNJ11 (0.43) PLAUNPC1RAB9ADEGS1KLK1
SCHEMBL9303532 0.79 PLAU (0.57) PLAUNPC1RAB9AKLK1KLK5
SCHEMBL9303484 0.79 NPC1 (0.49) PLAUNPC1RAB9AMEN1KMT2A
SCHEMBL9303554 0.79 NPC1 (0.46) PLAUNPC1RAB9AMEN1KMT2A
SCHEMBL9303218 0.79 PLAU (0.44) PLAUNPC1RAB9AKLK1KLK5

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