SCHEMBL9303538

SCHEMBL9303538

N=C(N)c1cccc2cc(NC(=O)c3ccccc3N=C(N)N)ccc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 1/20 0.46
TMPRSS2 O15393 1/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
HDAC1 Q13547 1/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
PLAU P00749 8/20 0.44
KLK1 P06870 1/20 0.42
KLK5 Q9Y337 1/20 0.42
PLAT P00750 3/20 0.42
F2 P00734 2/20 0.42
F10 P00742 2/20 0.42
PLG P00747 2/20 0.42
NR1H4 Q96RI1 1/20 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
SCHEMBL9302787 0.92 PLAU (0.45) DEGS1TMPRSS2NPC1RAB9AMEN1
SCHEMBL9304147 0.89 DEGS1 (0.44) DEGS1TMPRSS2NPC1RAB9AHDAC1
SCHEMBL9303517 0.82 PLAU (0.58) NPC1RAB9AMEN1KMT2APLAU
SCHEMBL9304170 0.81 PLAU (0.54) NPC1RAB9AMEN1KMT2APLAU
SCHEMBL9303292 0.81 RXFP1 (0.52) DEGS1TMPRSS2NPC1RAB9AHDAC1
SCHEMBL9303518 0.80 NPC1 (0.49) NPC1RAB9APLAUKLK1KLK5
SCHEMBL9303484 0.78 NPC1 (0.49) NPC1RAB9AMEN1KMT2APLAU
SCHEMBL9303218 0.78 PLAU (0.44) NPC1RAB9APLAUKLK1KLK5
SCHEMBL9303554 0.78 NPC1 (0.46) NPC1RAB9AMEN1KMT2APLAU
SCHEMBL9303967 0.77 KCNJ11 (0.43) DEGS1NPC1RAB9APLAUKLK1

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