SCHEMBL6679159

SCHEMBL6679159

COc1ccc(NC(N)=N[N+](=O)[O-])cc1CN

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
ALOX5 P09917 1/20 0.43
MAPT P10636 7/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
POLB P06746 2/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 2/20 0.41
BLM P54132 1/20 0.41
SETD7 Q8WTS6 1/20 0.40
GRIN2D O15399 2/20 0.39
GRIN3B O60391 2/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2A Q12879 2/20 0.39
GRIN2B Q13224 2/20 0.39
GRIN2C Q14957 2/20 0.39
GRIN3A Q8TCU5 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
Hydrochloric Acid SCHEMBL6675302 0.99 ALDH1A1 (0.44) ALDH1A1ALOX5MAPTMEN1KMT2A
SCHEMBL6678287 0.88 TDP1 (0.42) ALDH1A1MAPTMEN1KMT2APOLB
Hydrochloric Acid SCHEMBL6680098 0.87 TDP1 (0.41) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL6678424 0.82 C5AR1 (0.54) MAPTMEN1KMT2A
SCHEMBL6677745 0.81 C5AR1 (0.51)
Hydrochloric Acid SCHEMBL6680957 0.81 C5AR1 (0.53) MAPTMEN1KMT2A
SCHEMBL7246442 0.81 ALDH1A1 (0.44) ALDH1A1ALOX5MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL6680958 0.80 C5AR1 (0.50)
SCHEMBL6679456 0.80 SMN1; SMN2 (0.37) ALDH1A1MAPTMAPK1GRIN2DGRIN3B
SCHEMBL6680859 0.79 PTGIR (0.51) ALDH1A1MAPTMEN1KMT2AHTT

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
EP-0798292-B1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2004-11-03 EP claimed