SCHEMBL9303029

SCHEMBL9303029

N=C(N)Nc1cccc(C(=O)O)c1.N=C(N)c1cccc(C(N)=O)c1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.52
PARP10 Q53GL7 7/20 0.52
PARP15 Q460N3 4/20 0.52
PARP14 Q460N5 3/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
PLAU P00749 1/20 0.47
HPSE Q9Y251 1/20 0.47
PKM P14618 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL9303737 0.91 HPSE (0.50) PARP1PARP10PARP15PARP14MEN1
SCHEMBL1185244 0.89 KMT2A (0.58) PARP1PARP10PARP15MEN1KMT2A
4-Guanidino-Benzoic Acid SCHEMBL9304265 0.89 MEN1 (0.56) MEN1KMT2APLAUHPSE
Hydrochloric Acid SCHEMBL29568124 0.88 KMT2A (0.57) PARP1PARP10PARP15MEN1KMT2A
Hydrochloric Acid SCHEMBL3839558 0.88 KMT2A (0.57) PARP1PARP10PARP15MEN1KMT2A
SCHEMBL895690 0.88 MEN1 (0.63) PARP1PARP10PARP15PARP14MEN1
Hydrochloric Acid SCHEMBL2546537 0.86 MEN1 (0.61) PARP1PARP10PARP15PARP14MEN1
SCHEMBL9304038 0.83 KMT2A (0.50) PARP1PARP10PARP15MEN1KMT2A
SCHEMBL7339507 0.82 NPC1 (0.54) MEN1KMT2ANPC1RAB9AHPSE
SCHEMBL9303041 0.82 PLAU (0.61) MEN1KMT2APLAU

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