SCHEMBL6676396

SCHEMBL6676396

CNC(C)c1cccc(NC(=N)N[N+](=O)[O-])c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.40
MEN1 O00255 7/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
RAB9A P51151 1/20 0.36
CA2 P00918 1/20 0.36
DDX3X O00571 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
KCNK2 O95069 1/20 0.35
KCNA5 P22460 1/20 0.35
KCNH2 Q12809 1/20 0.35
KCNB1 Q14721 1/20 0.35
MTOR P42345 1/20 0.35
FADS1 O60427 1/20 0.35

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
SCHEMBL6675005 0.85 KMT2A (0.41) KMT2AMEN1ALDH1A1LMNAL3MBTL1
Hydrochloric Acid SCHEMBL6676190 0.84 KMT2A (0.40) KMT2AMEN1ALDH1A1LMNAL3MBTL1
SCHEMBL6676175 0.82 CA2 (0.40) KMT2AMEN1ALDH1A1LMNAL3MBTL1
SCHEMBL7242543 0.81 HDAC4 (0.39) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL6676381 0.80 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1LMNAL3MBTL1
Hydrochloric Acid SCHEMBL6676136 0.79 ALDH1A1 (0.38) KMT2AMEN1ALDH1A1LMNAL3MBTL1
SCHEMBL6549806 0.78 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1LMNAL3MBTL1
Hydrochloric Acid SCHEMBL6548531 0.77 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1LMNAL3MBTL1
SCHEMBL6676180 0.75 SIGMAR1 (0.47) KMT2AMEN1ALDH1A1LMNAL3MBTL1
SCHEMBL10385139 0.75 KMT2A (0.53) KMT2AMEN1ALDH1A1TRPV1MAPT

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 4 patents. 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
EP-0798292-B1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2004-11-03 EP disclosed
US-6534546-B1 Guanidine- or isothioureido-N-derived anilines; brain, nervous system, and neurodegenerative disorders CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-18 US disclosed
EP-0798292-A1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 1997-10-01 EP disclosed