SCHEMBL7748799

SCHEMBL7748799

COc1c(/C=N/NC(=N)N)cc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.46
ALDH1A1 P00352 6/20 0.46
HTT P42858 3/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 6/20 0.43
POLB P06746 3/20 0.43
RECQL P46063 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43
KMT2A Q03164 7/20 0.43
GAA P10253 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
MAPK1 P28482 1/20 0.43
KDM4A O75164 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
MEN1 O00255 6/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
PSMD14 O00487 1/20 0.40

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
SCHEMBL7748800 1.00 MAPT (0.46) MAPTALDH1A1HTTLMNAKDM4E
SCHEMBL13673501 0.88 MAPT (0.51) MAPTALDH1A1HTTLMNAKDM4E
SCHEMBL13673502 0.88 MAPT (0.51) MAPTALDH1A1HTTLMNAKDM4E
Hydrochloric Acid SCHEMBL917359 0.87 MAPT (0.50) MAPTALDH1A1HTTLMNAKDM4E
SCHEMBL7748853 0.87 MEN1 (0.43) MAPTALDH1A1HTTLMNAKDM4E
SCHEMBL7748850 0.87 MEN1 (0.43) MAPTALDH1A1HTTLMNAKDM4E
Hydrochloric Acid SCHEMBL917360 0.87 MAPT (0.50) MAPTALDH1A1HTTLMNAKDM4E
SCHEMBL13673582 0.87 MAPT (0.46) MAPTALDH1A1HTTLMNAKDM4E
SCHEMBL13673578 0.87 MAPT (0.48) MAPTALDH1A1HTTLMNAKDM4E
SCHEMBL13673580 0.87 MAPT (0.48) MAPTALDH1A1HTTLMNAKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001025192-A1 GUANIDINE DERIVATIVES AND THEIR USE IN THE PRODUCTION OF A MEDICAMENT FOR BLOCKING XANTHINE OXIDASE/DEHYDROGENASE MELACURE THERAPEUTICS AB (SE) 2001-04-12 WO disclosed