SCHEMBL1831576

SCHEMBL1831576

[C]OC(c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.42
ALDH1A1 P00352 4/20 0.38
LMNA P02545 3/20 0.38
NPC1 O15118 1/20 0.36
ADAM17 P78536 1/20 0.36
KMT2A Q03164 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ACP3 P15309 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 2/20 0.33
APOBEC3G Q9HC16 1/20 0.33
FBP1 P09467 1/20 0.32
CYP2D6 P10635 1/20 0.32
SRC P12931 1/20 0.32

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
SCHEMBL376375 0.83 GSR (0.44) GSRALDH1A1LMNANPC1ADAM17
SCHEMBL2028620 0.81 GSR (0.43) GSRALDH1A1LMNANPC1ADAM17
SCHEMBL27521461 0.79 GSR (0.46) GSRALDH1A1LMNANPC1ADAM17
SCHEMBL10936620 0.79 GSR (0.42) GSRALDH1A1LMNANPC1ADAM17
SCHEMBL10692142 0.79 GSR (0.46) GSRALDH1A1LMNANPC1ADAM17
SCHEMBL10403262 0.79 GSR (0.55) GSRALDH1A1LMNANPC1ADAM17
SCHEMBL8582412 0.79 GSR (0.42) GSRALDH1A1LMNANPC1ADAM17
SCHEMBL3125882 0.78 GSR (0.41) GSRALDH1A1LMNANPC1ADAM17
SCHEMBL2184991 0.76 GSR (0.40) GSRALDH1A1LMNANPC1ADAM17
SCHEMBL1054415 0.76 NPC1 (0.41) GSRALDH1A1LMNANPC1ADAM17

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010027326-A1 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2010-03-11 WO claimed
EP-0354108-A1 Amino acids and peptides with a modified tyrosine, their preparation and their use as medicines INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1990-02-07 EP claimed
EP-3947360-A1 SEROTONIN 5-HT2B INHIBITORY COMPOUNDS Zoetis Services LLC (US) 2022-02-09 EP disclosed
WO-2020198478-A1 SEROTONIN 5-HT2B INHIBITORY COMPOUNDS ZOETIS SERVICES LLC (US) 2020-10-01 WO disclosed
EP-3313837-A1 CARBOLINE ANTIPARASITICS Zoetis Services LLC (US) 2018-05-02 EP disclosed
WO-2016209635-A1 CARBOLINE ANTIPARASITICS ZOETIS SERVICES LLC (US) 2016-12-29 WO disclosed
EP-3087072-A2 SPIROINDOLINE ANTIPARASITIC DERIVATIVES Zoetis Services LLC (US) 2016-11-02 EP disclosed
EP-2892902-A1 SPIROCYCLIC DERIVATIVES AS ANTIPARASITIC AGENTS Zoetis LLC (US) 2015-07-15 EP disclosed
WO-2015100232-A2 SPIROINDOLINE ANTIPARASITIC DERIVATIVES ZOETIS SERVICES LLC (US) 2015-07-02 WO disclosed
WO-2014039489-A1 SPIROCYCLIC DERIVATIVES AS ANTIPARASITIC AGENTS ZOETIS LLC (US) 2014-03-13 WO disclosed
EP-2683723-A1 SPIROCYCLIC ISOXAZOLINE DERIVATIVES AS ANTIPARASITIC AGENTS Zoetis LLC (US) 2014-01-15 EP disclosed
EP-1222182-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS Aventis Pharmaceuticals Inc. (US) 2002-07-17 EP disclosed
WO-2002046182-A1 SEMICARBAZIDES AND THEIR USES AS CYCLIN DEPENDENT KINASE INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-06-13 WO disclosed
WO-2002044174-A2 3-(2,4-DIMETHYLTHIAZOL-5-YL) INDENO[1,2-C]PYRAZOL-4-ONE DERIVATIVES AS CDK INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-06-06 WO disclosed
WO-2002034721-A1 ACYLSEMICARBAZIDES AND THEIR USE AS CYCLIN DEPENDENT KINASE (CDK) INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-05-02 WO disclosed
EP-1140901-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2001-10-10 EP disclosed
WO-2001014358-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS AVENTIS PHARMACEUTICALS INC. (DE) 2001-03-01 WO disclosed
EP-1051397-A1 METHOD FOR PREPARING AN N- (ALIPHATIC OR AROMATIC)CARBONYL]-2-AMINOACETAMIDE COMPOUND AND A CYCLYZED COMPOUND Aventis Pharmaceuticals Products Inc. (US) 2000-11-15 EP disclosed
WO-2000039087-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-07-06 WO disclosed
WO-1999038844-A1 METHOD FOR PREPARING AN N-[(ALIPHATIC OR AROMATIC)CARBONYL]-2-AMINOACETAMIDE COMPOUND AND A CYCLYZED COMPOUND AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-08-05 WO disclosed