SCHEMBL6678424

SCHEMBL6678424

NCc1cc(NC(N)=N[N+](=O)[O-])ccc1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 16/20 0.54
CTSV O60911 2/20 0.43
CTSL P07711 2/20 0.43
PPIA P62937 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42

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 SCHEMBL6680957 0.99 C5AR1 (0.53) C5AR1CTSVCTSLPPIAMEN1
SCHEMBL6678287 0.84 TDP1 (0.42) C5AR1MEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL6680098 0.83 TDP1 (0.41) MEN1MAPTKMT2A
SCHEMBL6679225 0.82 C5AR1 (0.54) C5AR1CTSVCTSLMEN1MAPT
SCHEMBL6686056 0.82 C5AR1 (0.54) C5AR1CTSVCTSLMEN1MAPT
SCHEMBL6681429 0.82 C5AR1 (0.47) C5AR1MEN1MAPTKMT2A
SCHEMBL6679159 0.82 ALDH1A1 (0.44) MEN1MAPTKMT2A
SCHEMBL6678178 0.81 C5AR1 (0.60) C5AR1MEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL6675302 0.81 ALDH1A1 (0.44) MEN1MAPTKMT2A
SCHEMBL6678420 0.80 PPIA (0.44) C5AR1CTSVCTSLPPIAMEN1

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 claimed