SCHEMBL9303015

SCHEMBL9303015

N=C(N)Nc1ccccc1C(=O)O.N=C(N)c1cccc(C(N)=O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
MEN1 O00255 1/20 0.58
PKM P14618 1/20 0.58
SUCNR1 Q9BXA5 1/20 0.44
MAPT P10636 1/20 0.44
CTSK P43235 1/20 0.44
DHODH Q02127 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
SIRT2 Q8IXJ6 2/20 0.43
CHEK1 O14757 1/20 0.43
PIM1 P11309 1/20 0.43
MAPK8 P45983 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
PLAU P00749 1/20 0.43
TRPA1 O75762 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43

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
SCHEMBL9304069 0.87 DHODH (0.50) KMT2AMEN1PKMMAPTCTSK
Benzene SCHEMBL27690342 0.84 KMT2A (0.57) KMT2AMEN1PKMMAPTCTSK
SCHEMBL233797 0.84 KMT2A (0.57) KMT2AMEN1PKMMAPTCTSK
Hydrochloric Acid SCHEMBL6013658 0.82 KMT2A (0.55) KMT2AMEN1PKMMAPTCTSK
SCHEMBL9302227 0.81 KMT2A (0.49) KMT2AMEN1PKMMAPTCTSK
SCHEMBL9303020 0.78 NR1H4 (0.53) SIRT2PLAUPRSS1
4-Guanidino-Benzoic Acid SCHEMBL9304265 0.78 MEN1 (0.56) KMT2AMEN1PLAUPRSS1PRSS2
SCHEMBL9303029 0.78 PARP1 (0.52) KMT2AMEN1PKMPLAU
SCHEMBL2850803 0.77 PARP1 (0.59) PKMMAPTPOLBPRSS1PRSS2
SCHEMBL7902232 0.77 KMT2A (0.50) KMT2AMEN1PKMMAPTCTSK

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