SCHEMBL11095436

SCHEMBL11095436

CCCOC(=O)C(C)Oc1ccc(N(C)c2nnc3cc(Cl)ccc3n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
CYP1A2 P05177 2/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
NFKB1 P19838 1/20 0.39
HIF1A Q16665 1/20 0.39
GMNN O75496 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
APEX1 P27695 1/20 0.39
PMP22 Q01453 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
EPHX2 P34913 2/20 0.35
DHODH Q02127 1/20 0.35

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
SCHEMBL11097303 0.92 EPHX2 (0.42) TDP1GAAL3MBTL1CYP1A2MAPT
SCHEMBL11097512 0.88 MAPT (0.46) L3MBTL1CYP1A2MAPTALDH1A1SMN1; SMN2
SCHEMBL11096193 0.86 CYP1A2 (0.42) TDP1GAACYP1A2MAPTALDH1A1
SCHEMBL11098428 0.84 MAPT (0.55) L3MBTL1CYP1A2MAPTALDH1A1SMN1; SMN2
SCHEMBL11267012 0.84 MAPT (0.46) TDP1GAAL3MBTL1CYP1A2MAPT
SCHEMBL11129847 0.83 TDP1 (0.38) TDP1GAAL3MBTL1CYP1A2MAPT
SCHEMBL11124251 0.82 PPARA (0.46)
SCHEMBL11131778 0.81 CYP1A2 (0.38) TDP1GAAL3MBTL1CYP1A2MAPT
SCHEMBL11097255 0.80 KMT2A (0.39) TDP1GAAL3MBTL1MAPTALDH1A1
SCHEMBL10730420 0.78 L3MBTL1 (0.42) TDP1GAAL3MBTL1CYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0024931-B1 1,2,4-BENZOTRIAZINYLAMINOPHENOXYALKANE CARBOXYLIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES ICI AUSTRALIA LIMITED (AU) 1984-10-17 EP claimed
EP-0024931-B1 1,2,4-BENZOTRIAZINYLAMINOPHENOXYALKANE CARBOXYLIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES ICI AUSTRALIA LIMITED (AU) 1984-10-17 EP disclosed
US-4310347-A Herbicidal 1,2,4-benzotriazines ICI AUSTRALIA LIMITED (AU) 1982-01-12 US disclosed
EP-0024931-A2 1,2,4-Benzotriazinylaminophenoxyalkane carboxylic acid derivatives, processes for their preparation and their use as herbicides ICI AUSTRALIA LIMITED (AU) 1981-03-11 EP disclosed