SCHEMBL6686052

SCHEMBL6686052

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 9/20 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 3/20 0.41
CTSL P07711 3/20 0.41
CYP19A1 P11511 2/20 0.41
ACP1 P24666 1/20 0.39
PTPN12 Q05209 1/20 0.39
PTPN13 Q12923 1/20 0.39
SSU72 Q9NP77 1/20 0.39
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PRSS1 P07477 1/20 0.38
F7 P08709 1/20 0.38
MRGPRX1 Q96LB2 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
SCHEMBL6678649 0.85 CTSV (0.41) C5AR1PPIAMEN1MAPTKMT2A
SCHEMBL6675020 0.83 C5AR1 (0.46) C5AR1MAPTCYP19A1ACP1PTPN12
SCHEMBL6678420 0.82 PPIA (0.44) C5AR1PPIAMEN1MAPTKMT2A
SCHEMBL6679217 0.82 LTA4H (0.47) C5AR1PPIAMEN1MAPTKMT2A
SCHEMBL6686056 0.82 C5AR1 (0.54) C5AR1MEN1MAPTKMT2ACTSV
Hydrochloric Acid SCHEMBL6680952 0.81 PPIA (0.43) C5AR1PPIAMEN1MAPTKMT2A
SCHEMBL6681426 0.78 CYP2C9 (0.42) PPIAMEN1MAPTKMT2ACTSV
SCHEMBL27515135 0.78 C5AR1 (0.53) C5AR1MAPT
SCHEMBL28747646 0.78 C5AR1 (0.46) C5AR1MAPTF2F10PRSS1
SCHEMBL27515134 0.78 C5AR1 (0.47) C5AR1PPIAMEN1KMT2ACYP19A1

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 1 patent. 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