SCHEMBL9304048

SCHEMBL9304048

N=C(N)Nc1cccc(C(=O)Nc2ccccc2C(=N)N)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
PKM P14618 1/20 0.55
PTGES O14684 1/20 0.53
RXFP1 Q9HBX9 6/20 0.52
NR1H4 Q96RI1 1/20 0.50
KCNK3 O14649 1/20 0.50
KCNK9 Q9NPC2 1/20 0.50
F2 P00734 1/20 0.47
PLG P00747 1/20 0.47
PLAU P00749 1/20 0.47
PLAT P00750 1/20 0.47
KLKB1 P03952 1/20 0.47
KLK1 P06870 1/20 0.47
PRSS1 P07477 1/20 0.47

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
SCHEMBL9303308 0.88 PTGES (0.56) SIRT2MEN1KMT2APKMPTGES
SCHEMBL9303936 0.87 PTGES (0.52) SIRT2MEN1KMT2APKMPTGES
SCHEMBL9304320 0.86 PLAU (0.50) SIRT2MEN1KMT2APTGESKCNK3
SCHEMBL9302845 0.85 PTGES (0.52) SIRT2MEN1KMT2APTGESKCNK3
SCHEMBL9303615 0.85 PDCD1 (0.55) SIRT2F2PLGPLAUPLAT
SCHEMBL9303020 0.84 NR1H4 (0.53) SIRT2PTGESRXFP1NR1H4F2
SCHEMBL9303041 0.83 PLAU (0.61) MEN1KMT2ARXFP1KCNK3KCNK9
SCHEMBL8541181 0.82 SIRT2 (0.52) SIRT2MEN1KMT2APKMPTGES
SCHEMBL14855807 0.81 SIRT2 (0.78) SIRT2MEN1KMT2APKMRXFP1
SCHEMBL9304321 0.81 PLAU (0.50) SIRT2MEN1KMT2APTGESF2

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