SCHEMBL9304038

SCHEMBL9304038

N=C(N)Nc1cccc(C(=O)O)c1.N=C(N)c1ccccc1C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
SIRT2 Q8IXJ6 2/20 0.49
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MITF O75030 1/20 0.45
MAPK1 P28482 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
HPSE Q9Y251 1/20 0.45
PARP1 P09874 1/20 0.44
PARP15 Q460N3 1/20 0.44
PARP10 Q53GL7 1/20 0.44

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
SCHEMBL1185244 0.87 KMT2A (0.58) KMT2AMEN1RAB9ANPC1LMNA
Hydrochloric Acid SCHEMBL3839558 0.85 KMT2A (0.57) KMT2AMEN1RAB9ANPC1LMNA
Hydrochloric Acid SCHEMBL29568124 0.85 KMT2A (0.57) KMT2AMEN1RAB9ANPC1LMNA
4-Guanidino-Benzoic Acid SCHEMBL9303605 0.85 PLAU (0.50) KMT2AMEN1SIRT2
SCHEMBL9303029 0.83 PARP1 (0.52) KMT2AMEN1RAB9ANPC1HPSE
SCHEMBL9303737 0.83 HPSE (0.50) KMT2AMEN1RAB9ANPC1NR1H4
SCHEMBL7339507 0.80 NPC1 (0.54) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL895690 0.79 MEN1 (0.63) KMT2AMEN1PARP1PARP15PARP10
SCHEMBL9304048 0.78 SIRT2 (0.55) KMT2AMEN1SIRT2NR1H4
SCHEMBL5354517 0.78 L3MBTL1 (0.60) KMT2AMEN1RAB9ALMNA

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