SCHEMBL6675005

SCHEMBL6675005

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
CA2 P00918 1/20 0.40
FADS1 O60427 1/20 0.39
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AURKA O14965 1/20 0.38
RPS6KB1 P23443 1/20 0.38
AURKB Q96GD4 1/20 0.38
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 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
Hydrochloric Acid SCHEMBL6676190 0.99 KMT2A (0.40) KMT2AMEN1ALDH1A1LMNAL3MBTL1
SCHEMBL6676175 0.86 CA2 (0.40) KMT2AMEN1ALDH1A1LMNAL3MBTL1
SCHEMBL6676381 0.86 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1LMNAL3MBTL1
SCHEMBL6676396 0.85 KMT2A (0.40) KMT2AMEN1ALDH1A1LMNAL3MBTL1
Hydrochloric Acid SCHEMBL6676136 0.85 ALDH1A1 (0.38) KMT2AMEN1ALDH1A1LMNAL3MBTL1
SCHEMBL6549806 0.84 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1LMNAL3MBTL1
Hydrochloric Acid SCHEMBL6548531 0.83 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1LMNAL3MBTL1
SCHEMBL6676402 0.83 ROCK2 (0.41) KMT2AMEN1ALDH1A1LMNAL3MBTL1
SCHEMBL7242543 0.77 HDAC4 (0.39) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL5078290 0.76 MEN1 (0.46) KMT2AMEN1ALDH1A1LMNACA2

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 2 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-A1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 1997-10-01 EP claimed