SCHEMBL11272985

SCHEMBL11272985

O=C(O)c1cc(Oc2ccc(OC(F)F)cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
TDP1 Q9NUW8 3/20 0.53
TTR P02766 1/20 0.53
PPOX P50336 1/20 0.53
DTYMK P23919 1/20 0.48
EIF4E P06730 1/20 0.46
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
TEAD4 Q15561 1/20 0.42
CASP6 P55212 1/20 0.42
POLB P06746 2/20 0.41
GAA P10253 1/20 0.41
THRB P10828 1/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
MCL1 Q07820 1/20 0.41
HPSE Q9Y251 1/20 0.41
TAS2R14 Q9NYV8 1/20 0.40

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
SCHEMBL30032710 0.93 DTYMK (0.54) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11282021 0.85 MEN1 (0.71) MEN1KMT2ATDP1TTRPPOX
SCHEMBL3890179 0.85 TDP1 (0.56) MEN1KMT2ATDP1TTRPPOX
SCHEMBL3889423 0.84 MEN1 (0.55) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10976077 0.83 MEN1 (0.61) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11282911 0.83 MEN1 (0.54) MEN1KMT2ATDP1TTRPPOX
SCHEMBL28411064 0.82 DTYMK (0.51) MEN1KMT2ATDP1TTRPPOX
SCHEMBL9300807 0.81 EIF4E (0.47) MEN1KMT2ATDP1TTRPPOX
SCHEMBL9768812 0.81 MEN1 (0.72) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11147168 0.81 MEN1 (0.72) MEN1KMT2ATDP1TTRPPOX

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-0063873-A1 Haloalkoxy-substituted diphenyl ethers; their use as herbicides and in herbicidal compositions and processes of making them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-11-03 EP disclosed