SCHEMBL6679151

SCHEMBL6679151

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
MAPT P10636 8/20 0.41
MEN1 O00255 7/20 0.41
KMT2A Q03164 7/20 0.41
MAPK1 P28482 3/20 0.41
POLB P06746 2/20 0.41
BLM P54132 1/20 0.41
ALOX5 P09917 1/20 0.40
THRB P10828 1/20 0.39
HTT P42858 3/20 0.39
SETD7 Q8WTS6 1/20 0.38
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR6 P50406 1/20 0.36

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 SCHEMBL6675299 0.99 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL6678283 0.88 TDP1 (0.42) ALDH1A1MAPTMEN1KMT2APOLB
Hydrochloric Acid SCHEMBL6680091 0.87 TDP1 (0.41) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL10384373 0.84 MAPT (0.55) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL6678420 0.82 PPIA (0.44) MAPTMEN1KMT2A
SCHEMBL6677744 0.81 HTR6 (0.38) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL6680071 0.81 ALDH1A1 (0.33) ALDH1A1MAPTMEN1KMT2AMAPK1
Hydrochloric Acid SCHEMBL6680952 0.81 PPIA (0.43) MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL6680953 0.80 KMT2A (0.39) ALDH1A1MAPTMEN1KMT2APOLB
Hydrochloric Acid SCHEMBL6679714 0.80 ALDH1A1 (0.33) ALDH1A1MAPTMEN1KMT2AMAPK1

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