SCHEMBL9760432

SCHEMBL9760432

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

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.62
PDE7A Q13946 2/20 0.50
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
S1PR4 O95977 2/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TTR P02766 1/20 0.46
PPOX P50336 1/20 0.46
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
FFAR1 O14842 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
SCHEMBL11155616 0.84 TSHR (0.44) TDP1PDE7ATSHRMAPK1S1PR4
SCHEMBL11152276 0.84 TDP1 (0.67) TDP1PDE7ATSHRMAPK1S1PR4
SCHEMBL10851196 0.84 TDP1 (0.67) TDP1PDE7ATSHRMAPK1S1PR4
SCHEMBL27894847 0.83 TDP1 (0.62) TDP1PDE7ATSHRMAPK1S1PR4
SCHEMBL9332087 0.83 TDP1 (0.66) TDP1PDE7ATSHRMAPK1S1PR4
SCHEMBL10847574 0.82 TDP1 (0.65) TDP1PDE7ATSHRMAPK1S1PR4
Chlomethoxyfen SCHEMBL38653 0.82 TDP1 (0.68) TDP1PDE7ATSHRMAPK1S1PR4
Chlomethoxyfen SCHEMBL8538106 0.82 TDP1 (0.68) TDP1PDE7ATSHRMAPK1S1PR4
SCHEMBL10993043 0.81 PDE7A (0.59) TDP1PDE7ATSHRMAPK1S1PR4
SCHEMBL10789111 0.81 TDP1 (0.73) TDP1PDE7ATSHRMAPK1S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5028732-A Herbicidally active amino diphenyl ethers ROHM AND HAAS COMPANY (US) 1991-07-02 US disclosed
EP-0130041-B1 NOVEL HERBICIDAL SUBSTITUTED PYRIDYL PHENYL AND DIPHENYL ETHERS, HERBICIDAL COMPOSITIONS CONTAINING THEM, PROCESSES FOR THE PREPARATION THEREOF AND THE USE THEREOF FOR COMBATING WEEDS ROHM AND HAAS COMPANY (US) 1988-01-13 EP disclosed
EP-0130041-A1 Novel herbicidal substituted pyridyl phenyl and diphenyl ethers, herbicidal compositions containing them, processes for the preparation thereof and the use thereof for combating weeds ROHM AND HAAS COMPANY (US) 1985-01-02 EP disclosed
US-4401461-A PRE- AND POSTEMERGENCE HERBICIDES; RICE ROHM AND HAAS COMPANY (US) 1983-08-30 US disclosed
US-4039588-A ALKOXY, AMINO, HALO-, OR CYANO-SUBSTITUTED ROHM AND HAAS COMPANY (US) 1977-08-02 US disclosed