SCHEMBL9304069

SCHEMBL9304069

N=C(N)Nc1ccccc1C(=O)O.N=C(N)c1ccc(C(N)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.50
PDCD1 Q15116 1/20 0.48
CD274 Q9NZQ7 1/20 0.48
KMT2A Q03164 4/20 0.48
PKM P14618 2/20 0.48
MEN1 O00255 1/20 0.48
F10 P00742 3/20 0.47
PLAU P00749 2/20 0.47
PLAT P00750 2/20 0.47
F2 P00734 2/20 0.47
MAPT P10636 2/20 0.47
PLG P00747 1/20 0.47
CTSK P43235 1/20 0.47
CHEK1 O14757 1/20 0.46
PIM1 P11309 1/20 0.46
MAPK8 P45983 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
AKR1B10 O60218 1/20 0.44
AKR1B1 P15121 1/20 0.44
AKR1C4 P17516 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
Benzene SCHEMBL27690342 0.87 KMT2A (0.57) DHODHKMT2APKMMEN1MAPT
SCHEMBL233797 0.87 KMT2A (0.57) DHODHKMT2APKMMEN1MAPT
SCHEMBL9303015 0.87 KMT2A (0.58) DHODHKMT2APKMMEN1PLAU
Hydrochloric Acid SCHEMBL6013658 0.86 KMT2A (0.55) DHODHKMT2APKMMEN1MAPT
SCHEMBL9302227 0.85 KMT2A (0.49) DHODHPDCD1CD274KMT2APKM
Sulfuric Acid SCHEMBL5306744 0.80 KMT2A (0.50) DHODHKMT2APKMMEN1MAPT
SCHEMBL8104027 0.80 KMT2A (0.50) DHODHKMT2APKMMEN1MAPT
SCHEMBL7902232 0.80 KMT2A (0.50) DHODHKMT2APKMMEN1MAPT
SCHEMBL9304086 0.79 PLAU (0.69) F10PLAUPLATF2PLG
SCHEMBL45762 0.79 KDM4E (0.60) PDCD1CD274KMT2APKMMEN1

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