SCHEMBL10690824

SCHEMBL10690824

COC(=O)c1cc(Oc2ccc(C(C)=O)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.78
KMT2A Q03164 6/20 0.53
MEN1 O00255 5/20 0.53
TTR P02766 1/20 0.53
PPOX P50336 1/20 0.53
ESRRA P11474 1/20 0.50
ALDH1A1 P00352 7/20 0.48
HPGD P15428 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAPT P10636 4/20 0.47
POLB P06746 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
GAA P10253 2/20 0.47
PKM P14618 1/20 0.47
LMNA P02545 6/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
PYGL P06737 1/20 0.43
RAF1 P04049 1/20 0.43

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
Bifenox SCHEMBL8541647 0.87 TDP1 (1.00) TDP1KMT2AMEN1TTRPPOX
Bifenox SCHEMBL38816 0.87 TDP1 (1.00) TDP1KMT2AMEN1TTRPPOX
SCHEMBL11276396 0.87 TDP1 (0.83) TDP1KMT2AMEN1TTRPPOX
Bifenox SCHEMBL30862569 0.87 TDP1 (1.00) TDP1KMT2AMEN1TTRPPOX
Bifenox SCHEMBL28419037 0.86 TDP1 (0.98) TDP1KMT2AMEN1TTRPPOX
SCHEMBL10789320 0.86 TDP1 (0.81) TDP1KMT2AMEN1TTRPPOX
SCHEMBL10786433 0.85 TDP1 (0.79) TDP1KMT2AMEN1TTRPPOX
SCHEMBL10792602 0.85 TDP1 (0.78) TDP1KMT2AMEN1TTRPPOX
SCHEMBL87462 0.84 TDP1 (0.77) TDP1KMT2AMEN1TTRPPOX
Acifluorfen-Methyl SCHEMBL39092 0.83 MEN1 (0.78) TDP1KMT2AMEN1TTRPPOX

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
US-4743703-A Herbicidal 4-fluoroalkyl-4'-nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1988-05-10 US disclosed