SCHEMBL10692314

SCHEMBL10692314

O=Cc1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.60
▸ PDE7A Q13946 2/20 0.51
▸ TSHR P16473 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ TTR P02766 2/20 0.46
▸ PPOX P50336 1/20 0.46
▸ MAPT P10636 4/20 0.44
▸ S1PR4 O95977 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MRGPRX4 Q96LA9 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ PRKDC P78527 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ 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
SCHEMBL11152276 0.85 TDP1 (0.67) TDP1PDE7ATSHRMAPK1MEN1
SCHEMBL10851196 0.85 TDP1 (0.67) TDP1PDE7ATSHRMAPK1MEN1
SCHEMBL10379345 0.84 TDP1 (0.67) TDP1PDE7ATSHRMAPK1MEN1
SCHEMBL10847574 0.83 TDP1 (0.65) TDP1PDE7ATSHRMAPK1MEN1
SCHEMBL10882415 0.81 TDP1 (0.62) TDP1PDE7ATSHRMAPK1MEN1
SCHEMBL27894847 0.81 TDP1 (0.62) TDP1PDE7ATSHRMAPK1MEN1
SCHEMBL9332087 0.81 TDP1 (0.66) TDP1PDE7ATSHRMAPK1MEN1
SCHEMBL9363097 0.81 TDP1 (0.66) TDP1PDE7ATSHRMAPK1MEN1
Chlomethoxyfen SCHEMBL38653 0.80 TDP1 (0.68) TDP1PDE7ATSHRMAPK1MEN1
Chlomethoxyfen SCHEMBL8538106 0.80 TDP1 (0.68) TDP1PDE7ATSHRMAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4744812-A HALOGENATED DIPHENYL ETHER BASF AKTIENGESELLSCHAFT (DE) 1988-05-17 — — US disclosed
EP-0056119-A1 Substituted diphenyl ethers, herbicides containing them and their use as herbicides BASF Aktiengesellschaft (DE) 1982-07-21 — — EP disclosed
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