SCHEMBL9302652

SCHEMBL9302652

N=C(N)Nc1ccc(C(=O)Nc2ccc3ccccc3c2C(=N)N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 9/20 0.48
PLG P00747 8/20 0.48
PLAT P00750 7/20 0.48
F2 P00734 6/20 0.48
PRSS1 P07477 5/20 0.48
KLKB1 P03952 4/20 0.48
KLK1 P06870 3/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 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
KMT2A Q03164 1/20 0.43
F10 P00742 2/20 0.43
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 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
SCHEMBL9302930 0.86 PTGES (0.51) PLAUPLGPLATF2PRSS1
SCHEMBL9302624 0.81 PLAU (0.53) PLAUPLGPLATF2PRSS1
SCHEMBL9303113 0.81 CD40 (0.51) PLAUPLGPLATF2PRSS1
SCHEMBL9302926 0.81 RAB9A (0.50) NPC1RAB9AKMT2AF10POLB
SCHEMBL9303028 0.80 PLAU (0.63) PLAUPLGPLATF2PRSS1
SCHEMBL9303908 0.80 PLG (0.48) PLAUPLGPLATF2PRSS1
SCHEMBL9302612 0.78 PLAU (0.55) PLAUPLGPLATF2PRSS1
SCHEMBL4390837 0.78 NCEH1 (0.44) PLAUPLGPLATF2PRSS1
SCHEMBL9303615 0.77 PDCD1 (0.55) PLAUPLGPLATF2KLK1
SCHEMBL9303759 0.76 PLAU (0.50) PLAUPLGPLATF2PRSS1

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