SCHEMBL5031003

SCHEMBL5031003

N=C(/C(N)=C\N)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.65
PRSS2 P07478 1/20 0.65
PRSS3 P35030 1/20 0.65
TSHR P16473 4/20 0.59
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
TP53 P04637 1/20 0.53
ALDH1A1 P00352 5/20 0.51
KMT2A Q03164 3/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 2/20 0.49
POLB P06746 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL2762350 0.80 PRSS1 (0.96) PRSS1PRSS2PRSS3TSHRCES2
Hydrochloric Acid SCHEMBL1262882 0.79 PRSS1 (1.00) PRSS1PRSS2PRSS3TSHRCES2
SCHEMBL894417 0.75 TSHR (1.00) PRSS1PRSS2PRSS3TSHRCES2
SCHEMBL29848105 0.75 TSHR (1.00) PRSS1PRSS2PRSS3TSHRCES2
SCHEMBL18518479 0.75 TSHR (0.58) PRSS1PRSS2PRSS3TSHRCES2
SCHEMBL8629297 0.74 TSHR (0.67) PRSS1PRSS2PRSS3TSHRCES2
SCHEMBL8629294 0.74 TSHR (0.67) PRSS1PRSS2PRSS3TSHRCES2
SCHEMBL8629293 0.74 TSHR (0.67) PRSS1PRSS2PRSS3TSHRCES2
Guanidine SCHEMBL28122612 0.74 PRSS1 (0.67) PRSS1PRSS2PRSS3TSHRCES2
SCHEMBL2308208 0.74 TSHR (0.71) PRSS1PRSS2PRSS3TSHRCES2

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-2453496-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, NOVEL COMPOUND, LIGHTING DEVICE AND DISPLAY DEVICE Konica Minolta Holdings, Inc. (JP) 2012-05-16 EP disclosed