SCHEMBL9303532

SCHEMBL9303532

N=C(N)c1ccc2cccc(NC(=O)c3ccccc3N=C(N)N)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 8/20 0.57
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KLK1 P06870 7/20 0.46
PLG P00747 6/20 0.46
F2 P00734 5/20 0.46
PLAT P00750 5/20 0.46
PRSS1 P07477 4/20 0.46
HSD17B10 Q99714 1/20 0.46
KLKB1 P03952 1/20 0.43
KLK5 Q9Y337 2/20 0.43
H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 P62805 1/20 0.43
EP300 Q09472 1/20 0.43
PRMT1 Q99873 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
SIGMAR1 Q99720 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
SCHEMBL9303518 0.92 NPC1 (0.49) PLAUNPC1RAB9AKLK1PLG
SCHEMBL9303274 0.83 PLAU (0.62) PLAUNPC1RAB9AKLK1PLG
SCHEMBL9303439 0.83 NPC1 (0.45) PLAUNPC1RAB9AKLK1PLG
SCHEMBL9303554 0.82 NPC1 (0.46) PLAUNPC1RAB9ACHRNB2CHRNB4
SCHEMBL9303484 0.82 NPC1 (0.49) PLAUNPC1RAB9AHSD17B10CHRNB2
SCHEMBL9303517 0.81 PLAU (0.58) PLAUNPC1RAB9AKLK1PLG
SCHEMBL9304170 0.81 PLAU (0.54) PLAUNPC1RAB9AKLK1PLG
SCHEMBL9303327 0.80 RAB9A (0.44) PLAUNPC1RAB9AH4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16EP300
SCHEMBL7335597 0.80 PLAU (0.74) PLAUNPC1RAB9AKLK1PLG
SCHEMBL9303218 0.80 PLAU (0.44) PLAUNPC1RAB9AKLK1PLG

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