SCHEMBL7255205

SCHEMBL7255205

COc1ccc(C(CSCC(=O)N(C)C)[N+](=O)[O-])cc1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.37
SERPINH1 P50454 1/20 0.37
ACHE P22303 1/20 0.36
SLC6A4 P31645 1/20 0.36
KMT2A Q03164 1/20 0.36
AOC3 Q16853 1/20 0.36
ALOX5 P09917 1/20 0.36

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
SCHEMBL7254770 0.88 HPGD (0.47) GAAKMT2A
SCHEMBL7254979 0.85 MAPT (0.39) SERPINH1AOC3
SCHEMBL7255203 0.75 SERPINH1 (0.53) GAASERPINH1KMT2AAOC3
SCHEMBL7255856 0.74 GAA (0.41) GAASERPINH1KMT2A
SCHEMBL7254785 0.74 GAA (0.39) GAASERPINH1KMT2A
SCHEMBL7258606 0.73 L3MBTL1 (0.40) GAASERPINH1KMT2A
SCHEMBL7255096 0.72 HPGD (0.43) KMT2A
SCHEMBL23211131 0.72 GAA (0.43) GAAKMT2AAOC3
SCHEMBL3019212 0.69 ALDH1A1 (0.46) GAAKMT2A
SCHEMBL4474755 0.69 L3MBTL1 (0.42) GAASERPINH1KMT2A

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