SCHEMBL6689704

SCHEMBL6689704

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.41
MAPT P10636 4/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
ALOX5 P09917 1/20 0.36
MAPK1 P28482 1/20 0.36
GAA P10253 1/20 0.35
HTT P42858 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
SCHEMBL6678276 0.80 ALDH1A1 (0.49) RXFP1SMN1; SMN2ALDH1A1KMT2AGAA
SCHEMBL6676244 0.80 ALDH1A1 (0.44) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6679740 0.80 AURKA (0.46) MEN1KMT2A
SCHEMBL6689701 0.79 RXFP1 (0.42) RXFP1MAPTNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL6684923 0.79 ALDH1A1 (0.43) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7243182 0.79 AURKA (0.41) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6680723 0.78 CYP3A4 (0.45) SMN1; SMN2ALDH1A1MEN1KMT2AMAPK1
SCHEMBL6547640 0.77 PPARG (0.39) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6678655 0.77 C5AR1 (0.48) MAPTMEN1KMT2A
SCHEMBL6679019 0.76 HDAC4 (0.39) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1

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 3 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 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