SCHEMBL6676402

SCHEMBL6676402

CC(N)c1ccc(NC(=N)N[N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 2/20 0.41
MEN1 O00255 7/20 0.38
KMT2A Q03164 7/20 0.38
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MYOC Q99972 1/20 0.38
KIF11 P52732 1/20 0.36
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA12 O43570 3/20 0.36
CA9 Q16790 3/20 0.36
TAAR1 Q96RJ0 1/20 0.36
HTR1E P28566 1/20 0.34
S1PR3 Q99500 1/20 0.34
ADRB2 P07550 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
LMNA P02545 1/20 0.34
ALDH1A1 P00352 2/20 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
SCHEMBL6677724 0.84 MEN1 (0.38) MEN1KMT2AMAPTNPSR1CA1
Hydrochloric Acid SCHEMBL6677900 0.83 MEN1 (0.37) MEN1KMT2AMAPTNPSR1MYOC
SCHEMBL6675005 0.83 KMT2A (0.41) MEN1KMT2AMAPTCA2LMNA
SCHEMBL6675277 0.82 MEN1 (0.36) MEN1KMT2AMAPTNPSR1MYOC
Hydrochloric Acid SCHEMBL6676190 0.82 KMT2A (0.40) MEN1KMT2AMAPTCA2LMNA
SCHEMBL6675088 0.76 MYLK4 (0.40) ROCK2ROCK1ALDH1A1CRHBPCRHR2
SCHEMBL6678141 0.76 ROCK1 (0.39) ROCK2ROCK1CRHBPCRHR2
Hydrochloric Acid SCHEMBL6679181 0.75 MYLK4 (0.40) ROCK2ROCK1ALDH1A1CRHBPCRHR2
Hydrochloric Acid SCHEMBL6681326 0.75 ROCK1 (0.39) ROCK2ROCK1CRHBPCRHR2
SCHEMBL4905875 0.75 MAPT (0.46) MEN1KMT2AMAPTNPSR1LMNA

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