SCHEMBL6976022

SCHEMBL6976022

CC(C)(C)c1nn(-c2c(F)cc(Cl)c([N+](=O)[O-])c2O)c(=O)o1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPOX P50336 18/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.35

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
SCHEMBL6980225 0.89 PPOX (0.42) PPOXMEN1KMT2ATDP1NR1I2
SCHEMBL6967744 0.82 PPOX (0.43) PPOXMEN1KMT2ATDP1NR1I2
SCHEMBL6974018 0.76 PPOX (0.47) PPOXMEN1KMT2ATDP1NR1I2
SCHEMBL6975206 0.73 PPOX (0.42) PPOXMEN1KMT2ATDP1NR1I2
SCHEMBL9366286 0.73 TDP1 (0.45) PPOXMEN1KMT2ATDP1NR1I2
SCHEMBL9146063 0.73 PPOX (0.42) PPOXMEN1KMT2ATDP1NR1I2
SCHEMBL10437883 0.73 PPOX (0.51) PPOXMEN1KMT2ATDP1NR1I2
SCHEMBL9366509 0.71 GAA (0.45) PPOXMEN1KMT2ATDP1NR1I2
SCHEMBL31448249 0.70 PPOX (0.53) PPOXMEN1KMT2ATDP1NR1I2
SCHEMBL31448252 0.70 PPOX (0.53) PPOXMEN1KMT2ATDP1NR1I2

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-1200428-B1 SUBSTITUTED BENZOXAZOLES BASF AG (DE) 2003-04-16 EP disclosed