SCHEMBL11545684

SCHEMBL11545684

CC(C)(C)c1nn(-c2cc(O)c(Cl)cc2N)c(=O)o1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPOX P50336 19/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
NR1I2 O75469 1/20 0.51

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
SCHEMBL11130699 0.88 PPOX (0.64) PPOXMEN1KMT2ATDP1NR1I2
SCHEMBL10437883 0.85 PPOX (0.51) PPOXMEN1KMT2ATDP1NR1I2
SCHEMBL11545462 0.80 NPSR1 (0.39) PPOXMEN1KMT2ATDP1NR1I2
SCHEMBL9378668 0.76 PPOX (0.56) PPOXMEN1KMT2ATDP1NR1I2
SCHEMBL11272220 0.76 MEN1 (0.60) PPOXMEN1KMT2ATDP1NR1I2
SCHEMBL11575267 0.74 PPOX (0.32) PPOX
SCHEMBL6967744 0.72 PPOX (0.43) PPOXMEN1KMT2ATDP1NR1I2
SCHEMBL31448252 0.71 PPOX (0.53) PPOXMEN1KMT2ATDP1NR1I2
SCHEMBL31448249 0.71 PPOX (0.53) PPOXMEN1KMT2ATDP1NR1I2
SCHEMBL11848214 0.71 MEN1 (0.72) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4138404-A Process for the preparation of oxadiazolines RHONE-POULENC S.A. (FR) 1979-02-06 US disclosed
US-3941798-A 5-Alkyl-3-(2-hydroxylamino-4-chlorophenyl)-1,3,4-oxadiazolin-2-one compounds RHONE POULENC S.A. (FR) 1976-03-02 US disclosed