SCHEMBL6676252

SCHEMBL6676252

N=C(Nc1cccc(CNC(N)=NC2CC2)c1)N[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.38
PLAU P00749 1/20 0.36
ACKR3 P25106 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 2/20 0.34
SIGMAR1 Q99720 1/20 0.34
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
F10 P00742 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33

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
SCHEMBL6677685 0.85 CYP19A1 (0.38) CYP19A1SMN1; SMN2GAASIGMAR1MEN1
SCHEMBL6676259 0.84 CYP19A1 (0.40) CYP19A1ACKR3SMN1; SMN2GAASIGMAR1
SCHEMBL6677679 0.82 CYP19A1 (0.44) CYP19A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL6676251 0.81 SMN1; SMN2 (0.40) CYP19A1ACKR3SMN1; SMN2GAAMEN1
SCHEMBL6680873 0.78 CYP1A2 (0.43) CYP19A1SMN1; SMN2GAAMEN1KMT2A
Hydrochloric Acid SCHEMBL6676735 0.77 KMT2A (0.44) CYP19A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL6674882 0.76 CFD (0.43) SMN1; SMN2GAAAURKB
SCHEMBL6679736 0.72 GLS (0.46) AURKAMEN1KMT2A
SCHEMBL6677687 0.71 SIGMAR1 (0.46) CYP19A1SMN1; SMN2GAASIGMAR1MEN1
SCHEMBL10384268 0.70 MAPT (0.42) SMN1; SMN2GAAMEN1KMT2A

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