SCHEMBL7069192

SCHEMBL7069192

COCC(=NOOC(C)=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.62
▸ KMT2A Q03164 4/20 0.62
▸ TDP1 Q9NUW8 2/20 0.62
▸ TTR P02766 1/20 0.62
▸ PPOX P50336 1/20 0.62
▸ FFAR1 O14842 5/20 0.43
▸ LMNA P02545 6/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ MAPT P10636 3/20 0.38
▸ POLB P06746 2/20 0.38
▸ CCR6 P51684 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ GPR55 Q9Y2T6 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ PYGL P06737 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ PKM P14618 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
SCHEMBL8131595 1.00 MEN1 (0.62) MEN1KMT2ATDP1TTRPPOX
SCHEMBL4099716 0.92 MEN1 (0.65) MEN1KMT2ATDP1TTRPPOX
SCHEMBL203524 0.87 MEN1 (0.66) MEN1KMT2ATDP1TTRPPOX
SCHEMBL203525 0.87 MEN1 (0.66) MEN1KMT2ATDP1TTRPPOX
SCHEMBL2809126 0.87 MEN1 (0.66) MEN1KMT2ATDP1TTRPPOX
SCHEMBL2477154 0.87 MEN1 (0.67) MEN1KMT2ATDP1TTRPPOX
SCHEMBL29392315 0.87 MEN1 (0.62) MEN1KMT2ATDP1TTRPPOX
SCHEMBL8187095 0.87 MEN1 (0.62) MEN1KMT2ATDP1TTRPPOX
SCHEMBL8187092 0.87 MEN1 (0.62) MEN1KMT2ATDP1TTRPPOX
SCHEMBL29414031 0.87 MEN1 (0.62) MEN1KMT2ATDP1TTRPPOX

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
EP-2675277-A1 SYNERGISTIC COMBINATIONS CONTAINING A DITHIINO-TETRACARBOXAMIDE FUNGICIDE AND A HERBICIDE, SAFENER OR PLANT GROWTH REGULATOR Bayer Intellectual Property GmbH (DE) 2013-12-25 — — EP disclosed
WO-2012110517-A1 SYNERGISTIC COMBINATIONS CONTAINING A DITHIINO-TETRACARBOXAMIDE FUNGICIDE AND A HERBICIDE, SAFENER OR PLANT GROWTH REGULATOR BAYER CROPSCIENCE AG (DE) 2012-08-23 — — WO disclosed
EP-1449434-A1 Liquid pesticide composition Nissan Chemical Industries, Ltd. (JP) 2004-08-25 — — EP disclosed
EP-1036066-A1 SUBSTITUTED PYRIMIDINE AND PYRIDINE HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2000-09-20 — — EP disclosed
EP-0977752-A1 HERBICIDAL PYRAZOLES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2000-02-09 — — EP disclosed
WO-1999028301-A1 SUBSTITUTED PYRIMIDINE AND PYRIDINE HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-06-10 — — WO disclosed
WO-1998049159-A1 HERBICIDAL PYRAZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-11-05 — — WO disclosed
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