SCHEMBL7254995

SCHEMBL7254995

CCOC(=O)C(C)SC(C[N+](=O)[O-])c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MMP8 P22894 1/20 0.42
PIN1 Q13526 1/20 0.41
CPA1 P15085 3/20 0.40
ALDH1A1 P00352 1/20 0.39
PRNP P04156 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL7258626 0.90 ALDH1A1 (0.49) MAPTKDM4EMAPK1NPSR1TDP1
SCHEMBL7255036 0.87 SERPINH1 (0.47) MAPTKDM4EMAPK1NPSR1TDP1
SCHEMBL7254783 0.86 SERPINH1 (0.52) MAPTKDM4EMAPK1NPSR1TDP1
SCHEMBL7254921 0.85 NPSR1 (0.50) MAPTKDM4EMAPK1NPSR1APOBEC3G
SCHEMBL7260564 0.78 ALDH1A1 (0.52) MAPTMAPK1NPSR1ALDH1A1L3MBTL1
SCHEMBL1036342 0.78 MAPK1 (0.66) MAPTKDM4EMAPK1NPSR1APOBEC3G
SCHEMBL4725978 0.78 MAPK1 (0.66) MAPTKDM4EMAPK1NPSR1APOBEC3G
SCHEMBL27974838 0.77 MMP8 (0.48) MMP8PIN1CPA1ALDH1A1
SCHEMBL27974839 0.77 MMP8 (0.48) MMP8PIN1CPA1ALDH1A1
SCHEMBL27975045 0.77 MMP8 (0.48) MMP8PIN1CPA1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003029188-A2 BETA-SUBSTITUTED NITROSTYRENE AND CYANOSTYRENE COMPOUNDS AND THEIR USE AS NEMATICIDES AND FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2003-04-10 WO claimed
WO-2003029188-A2 BETA-SUBSTITUTED NITROSTYRENE AND CYANOSTYRENE COMPOUNDS AND THEIR USE AS NEMATICIDES AND FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2003-04-10 WO disclosed