SCHEMBL6674882

SCHEMBL6674882

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.43
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
HTR6 P50406 1/20 0.40
GAA P10253 1/20 0.40
AURKB Q96GD4 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL6680873 0.86 CYP1A2 (0.43) ALDH1A1SMN1; SMN2GAANPC1RAB9A
SCHEMBL6676196 0.85 CA9 (0.45) LOXL2CA9
Hydrochloric Acid SCHEMBL6676735 0.85 KMT2A (0.44) ALDH1A1SMN1; SMN2GAANPC1RAB9A
SCHEMBL6677679 0.84 CYP19A1 (0.44) ALDH1A1SMN1; SMN2GAANPC1RAB9A
SCHEMBL10384268 0.82 MAPT (0.42) ALDH1A1SMN1; SMN2GAA
SCHEMBL6679466 0.82 KDM1A (0.43) ALDH1A1SMN1; SMN2GAA
SCHEMBL6677685 0.79 CYP19A1 (0.38) ALDH1A1SMN1; SMN2GAA
Acetic Acid SCHEMBL6681849 0.78 KDM1A (0.43) ALDH1A1SMN1; SMN2GAANPC1RAB9A
SCHEMBL10384379 0.78 MEN1 (0.50) ALDH1A1SMN1; SMN2GAANPC1RAB9A
SCHEMBL10384376 0.78 MEN1 (0.53) ALDH1A1SMN1; SMN2GAANPC1RAB9A

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