SCHEMBL7748699

SCHEMBL7748699

COc1ccc([N+](=O)[O-])cc1C=NNC(=N)N

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
GAA P10253 2/20 0.58
MEN1 O00255 7/20 0.57
KMT2A Q03164 7/20 0.57
MAPT P10636 10/20 0.56
KDM4E B2RXH2 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HPGD P15428 1/20 0.54
HTT P42858 3/20 0.53
CYP2D6 P10635 1/20 0.52
MAPK1 P28482 1/20 0.52
LMNA P02545 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
NPC1 O15118 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL7748695 1.00 ALDH1A1 (0.63) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL13673619 0.87 ALDH1A1 (0.62) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL13673617 0.87 ALDH1A1 (0.62) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL13673621 0.87 ALDH1A1 (0.62) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL13673501 0.84 MAPT (0.51) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL13673624 0.84 KDM4E (0.65) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL13673626 0.84 KDM4E (0.65) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL13673502 0.84 MAPT (0.51) ALDH1A1GAAMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL917360 0.83 MAPT (0.50) ALDH1A1GAAMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL916118 0.83 KDM4E (0.64) ALDH1A1GAAMEN1KMT2AMAPT

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