SCHEMBL9302818

SCHEMBL9302818

N=C(N)Nc1ccc(C(=O)Nc2cccc3cc(C(=N)N)ccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FGF1 P05230 1/20 0.54
PLAU P00749 12/20 0.53
PLG P00747 9/20 0.53
PRSS1 P07477 8/20 0.53
PLAT P00750 8/20 0.53
F2 P00734 7/20 0.53
KLKB1 P03952 5/20 0.53
KLK1 P06870 5/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 1/20 0.48
EGFR P00533 1/20 0.46
ERBB2 P04626 1/20 0.46
TRPV1 Q8NER1 1/20 0.46

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
SCHEMBL9303028 0.91 PLAU (0.63) PLAUPLGPRSS1PLATF2
SCHEMBL9305495 0.90 PLAU (0.54) PLAUPLGPRSS1PLATF2
SCHEMBL9302624 0.88 PLAU (0.53) PLAUPLGPRSS1PLATF2
SCHEMBL9303523 0.84 NPC1 (0.53) PLAUPLGPRSS1PLATF2
SCHEMBL9303249 0.81 PLAU (0.60) PLAUPLGPRSS1PLATF2
SCHEMBL9303394 0.80 PLAU (0.47) FGF1PLAUPLGPRSS1PLAT
SCHEMBL9303405 0.80 NPC1 (0.48) PLAUPLGPLATF2KLK1
SCHEMBL9303344 0.79 PLAU (0.74) PLAUPLGPRSS1PLATF2
SCHEMBL9304281 0.79 PLAU (0.61) PLAUPLGPRSS1PLATF2
SCHEMBL9303131 0.79 SIRT2 (0.46) PLAUPLGPRSS1PLATF2

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