SCHEMBL7813634

SCHEMBL7813634

CC(=O)n1c(N)nc2ncn(Cc3ccc([N+](=O)[O-])cc3)c2c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
ADORA2A P29274 2/20 0.41
ADORA1 P30542 1/20 0.41
PDE5A O76074 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
DHFR P00374 1/20 0.39
TYMS P04818 1/20 0.39
SLC29A1 Q99808 3/20 0.39
MAPT P10636 1/20 0.38
CYP19A1 P11511 1/20 0.37
ENPP2 Q13822 1/20 0.37
SOS1 Q07889 1/20 0.37
TGM2 P21980 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
Bromide SCHEMBL7940869 0.99 MEN1 (0.44) MEN1KMT2ALMNAL3MBTL1ADORA2A
SCHEMBL7816003 0.84 HPGD (0.49) MEN1KMT2ASMN1; SMN2
SCHEMBL7806218 0.83 GAA (0.48) MEN1KMT2AL3MBTL1ADORA2APDE5A
SCHEMBL6548067 0.77 L3MBTL1 (0.47) MEN1KMT2ALMNAL3MBTL1ADORA2A
Hydrochloric Acid SCHEMBL7813292 0.75 DHFR (0.56) MEN1KMT2ALMNAL3MBTL1ADORA2A
SCHEMBL7812587 0.73 SMN1; SMN2 (0.46) MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL29601391 0.72 MEN1 (0.46) MEN1KMT2ALMNAADORA2AADORA1
SCHEMBL8177043 0.69 ADORA2B (0.46) LMNAPDE4AMAPT
SCHEMBL28814905 0.69 GAA (0.59) MEN1KMT2ALMNAL3MBTL1SMN1; SMN2
SCHEMBL28017562 0.69 MEN1 (0.55) MEN1KMT2ALMNAL3MBTL1ADORA2A

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
EP-0728757-B1 Process for producing purine derivatives AJINOMOTO KK (JP) 2001-10-04 EP disclosed
US-6245910-B1 Process for producing purine derivatives AJINOMOTO CO., INC. (JP) 2001-06-12 US disclosed
EP-0728757-A1 Process for producing purine derivatives Ajinomoto Co., Inc. (JP) 1996-08-28 EP disclosed