SCHEMBL6677679

SCHEMBL6677679

N=C(NCc1cccc(NC(=N)N[N+](=O)[O-])c1)N[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.44
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 5/20 0.40
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 2/20 0.38
THRB P10828 1/20 0.38
ALOX12 P18054 1/20 0.38
RAB9A P51151 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 1/20 0.37
MITF O75030 1/20 0.37
MAPK1 P28482 1/20 0.37
ALOX5 P09917 1/20 0.37
DDX3X O00571 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL6676251 0.88 SMN1; SMN2 (0.40) CYP19A1KMT2AMEN1GAAMAPT
SCHEMBL6680873 0.88 CYP1A2 (0.43) CYP19A1KMT2AMEN1GAAMAPT
Hydrochloric Acid SCHEMBL6676735 0.86 KMT2A (0.44) CYP19A1KMT2AMEN1GAAMAPT
SCHEMBL6677685 0.85 CYP19A1 (0.38) CYP19A1KMT2AMEN1GAAMAPT
SCHEMBL6674882 0.84 CFD (0.43) GAAALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL6679736 0.84 GLS (0.46) KMT2AMEN1MAPT
SCHEMBL10649915 0.83 ALOX15 (0.46) CYP19A1KMT2AMAPTALDH1A1PKM
SCHEMBL6676252 0.82 CYP19A1 (0.38) CYP19A1KMT2AMEN1GAASMN1; SMN2
SCHEMBL10383507 0.82 MMP13 (0.47) CYP19A1ALDH1A1HPGDPOLB
SCHEMBL10383500 0.82 ATG4B (0.47) CYP19A1ALDH1A1HPGDRAB9AMAPK1

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