SCHEMBL9442003

SCHEMBL9442003

CCOC(=O)C(C)OC(=O)c1cc(Oc2c(F)c(F)c(C)c(F)c2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ TDP1 Q9NUW8 2/20 0.41
▸ NPC1 O15118 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ TTR P02766 1/20 0.36
▸ PPOX P50336 1/20 0.36
▸ MAPT P10636 8/20 0.35
▸ ALDH1A1 P00352 6/20 0.35
▸ LMNA P02545 5/20 0.35
▸ POLB P06746 2/20 0.34
▸ NPSR1 Q6W5P4 3/20 0.34
▸ MITF O75030 2/20 0.34
▸ CCR6 P51684 2/20 0.34
▸ GALR2 O43603 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
SCHEMBL9555718 0.93 SMN1; SMN2 (0.42) SMN1; SMN2TDP1NPC1GAANFKB1
SCHEMBL11114839 0.90 TDP1 (0.45) SMN1; SMN2TDP1NPC1GAARAB9A
SCHEMBL10812715 0.86 TDP1 (0.41) SMN1; SMN2TDP1NPC1GAANFKB1
SCHEMBL11266141 0.86 TDP1 (0.45) SMN1; SMN2TDP1KMT2AMEN1TTR
SCHEMBL10877259 0.85 ALDH1A1 (0.42) SMN1; SMN2TDP1KMT2AMEN1TTR
SCHEMBL11278070 0.84 TDP1 (0.41) SMN1; SMN2TDP1NPC1RAB9AKMT2A
SCHEMBL11213666 0.83 TDP1 (0.57) SMN1; SMN2TDP1NPC1RAB9AKMT2A
SCHEMBL11272565 0.83 TDP1 (0.41) SMN1; SMN2TDP1NPC1RAB9AKMT2A
SCHEMBL11118813 0.82 MEN1 (0.50) SMN1; SMN2TDP1NPC1GAANFKB1
SCHEMBL9442005 0.81 TDP1 (0.45) SMN1; SMN2TDP1NPC1GAANFKB1

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 9 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-5189169-A Postemergence herbicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-23 — — 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
US-5084083-A Phenylthiazolecarboxylic acid derivative herbicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-01-28 — — US disclosed
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