SCHEMBL6679217

SCHEMBL6679217

CC(N)c1cc(NC(=N)N[N+](=O)[O-])ccc1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.47
C5AR1 P21730 7/20 0.43
PPIA P62937 1/20 0.42
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
CTSV O60911 2/20 0.41
CTSL P07711 2/20 0.41
ACP1 P24666 1/20 0.41
PTPN12 Q05209 1/20 0.41
PTPN13 Q12923 1/20 0.41
SSU72 Q9NP77 1/20 0.41
CYP19A1 P11511 2/20 0.41
F2 P00734 3/20 0.40
F10 P00742 3/20 0.40
PRSS1 P07477 3/20 0.40
F7 P08709 3/20 0.40
PRSS2 P07478 2/20 0.40
F3 P13726 2/20 0.40
PRSS3 P35030 2/20 0.40

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
SCHEMBL6678420 0.82 PPIA (0.44) LTA4HC5AR1PPIAMEN1MAPT
SCHEMBL6686052 0.82 C5AR1 (0.43) C5AR1PPIAMEN1MAPTKMT2A
SCHEMBL6679225 0.82 C5AR1 (0.54) LTA4HC5AR1MEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL6680952 0.81 PPIA (0.43) LTA4HC5AR1PPIAMEN1MAPT
SCHEMBL6678649 0.75 CTSV (0.41) C5AR1PPIAMEN1MAPTKMT2A
SCHEMBL6681426 0.74 CYP2C9 (0.42) LTA4HPPIAMEN1MAPTKMT2A
SCHEMBL6678283 0.70 TDP1 (0.42) MEN1MAPTKMT2AF2F10
SCHEMBL6675005 0.70 KMT2A (0.41) MEN1MAPTKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL6680091 0.70 TDP1 (0.41) MEN1MAPTKMT2AF2F10
Hydrochloric Acid SCHEMBL6676190 0.69 KMT2A (0.40) MEN1MAPTKMT2ASMN1; SMN2

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 claimed
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