SCHEMBL9303737

SCHEMBL9303737

N=C(N)Nc1cccc(C(=O)O)c1.N=C(N)c1ccc(C(N)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 1/20 0.50
PARP1 P09874 6/20 0.49
PARP10 Q53GL7 5/20 0.49
PARP15 Q460N3 4/20 0.49
PARP14 Q460N5 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ITGB3 P05106 2/20 0.48
ITGA2B P08514 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
PLAU P00749 1/20 0.47
NR1H4 Q96RI1 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
SCHEMBL9303029 0.91 PARP1 (0.52) HPSEPARP1PARP10PARP15PARP14
SCHEMBL1185244 0.89 KMT2A (0.58) HPSEPARP1PARP10PARP15MEN1
Hydrochloric Acid SCHEMBL3839558 0.88 KMT2A (0.57) HPSEPARP1PARP10PARP15MEN1
Hydrochloric Acid SCHEMBL29568124 0.88 KMT2A (0.57) HPSEPARP1PARP10PARP15MEN1
SCHEMBL895690 0.85 MEN1 (0.63) PARP1PARP10PARP15PARP14MEN1
SCHEMBL9304038 0.83 KMT2A (0.50) HPSEPARP1PARP10PARP15MEN1
4-Guanidino-Benzoic Acid SCHEMBL9303333 0.83 F2 (0.61) PARP10PARP15ITGB3ITGA2BPLAU
Hydrochloric Acid SCHEMBL2546537 0.83 MEN1 (0.61) PARP1PARP10PARP15PARP14MEN1
4-Guanidino-Benzoic Acid SCHEMBL9304265 0.83 MEN1 (0.56) HPSEMEN1KMT2AITGB3ITGA2B
SCHEMBL7339507 0.82 NPC1 (0.54) HPSEMEN1KMT2ANPC1RAB9A

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