SCHEMBL9442005

SCHEMBL9442005

CCOC(=O)C(C)OC(=O)c1cc(Oc2ccc(C(F)F)c(F)c2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.45
▸ SMN1; SMN2 Q16637 6/20 0.41
▸ KMT2A Q03164 5/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ TTR P02766 2/20 0.40
▸ PPOX P50336 1/20 0.40
▸ NPC1 O15118 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.34
▸ LMNA P02545 4/20 0.34
▸ HPGD P15428 3/20 0.34
▸ POLB P06746 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ GALR2 O43603 1/20 0.34
▸ MITF O75030 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34

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
SCHEMBL9442003 0.81 SMN1; SMN2 (0.42) TDP1SMN1; SMN2KMT2AMEN1TTR
SCHEMBL9555718 0.81 SMN1; SMN2 (0.42) TDP1SMN1; SMN2KMT2AMEN1TTR
SCHEMBL29034725 0.81 TDP1 (0.58) TDP1KMT2AMEN1TTRPPOX
SCHEMBL16394208 0.81 TDP1 (0.53) TDP1SMN1; SMN2KMT2AMEN1TTR
SCHEMBL9552008 0.80 TDP1 (0.44) TDP1SMN1; SMN2KMT2AMEN1TTR
Lactofen SCHEMBL29462400 0.80 MEN1 (0.66) TDP1SMN1; SMN2KMT2AMEN1TTR
Lactofen SCHEMBL30606811 0.80 MEN1 (0.66) TDP1SMN1; SMN2KMT2AMEN1TTR
Lactofen SCHEMBL30359837 0.80 MEN1 (0.66) TDP1SMN1; SMN2KMT2AMEN1TTR
Lactofen SCHEMBL8536001 0.80 MEN1 (0.66) TDP1SMN1; SMN2KMT2AMEN1TTR
Lactofen SCHEMBL9796531 0.80 MEN1 (0.66) TDP1SMN1; SMN2KMT2AMEN1TTR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5266552-A Biological antigrowth agents for plants IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-11-30 — — US disclosed
US-5234895-A Arylpyridone herbicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-10 — — US disclosed
US-5232895-A Postemergence herbicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-03 — — US disclosed
US-5205852-A Postemergence herbicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-04-27 — — US disclosed
US-5186733-A Arylphosphonodiamide compounds and herbicidal compositions thereof IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-16 — — US disclosed
US-5182402-A 2-Phenylthiazolecarboxylic Acids and Esters IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-01-26 — — US disclosed
US-5120869-A HERBICIDAL COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-06-09 — — US disclosed
Send feedback