SCHEMBL10379017

SCHEMBL10379017

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

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ TTR P02766 1/20 0.56
▸ PPOX P50336 1/20 0.56
▸ FFAR1 O14842 3/20 0.39
▸ LMNA P02545 6/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ MAPT P10636 5/20 0.36
▸ POLB P06746 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ CCR6 P51684 1/20 0.36
▸ GPR55 Q9Y2T6 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ PYGL P06737 1/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ HPGD P15428 2/20 0.33

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
SCHEMBL10378750 0.94 MEN1 (0.54) MEN1KMT2ATDP1TTRPPOX
SCHEMBL8187095 0.92 MEN1 (0.62) MEN1KMT2ATDP1TTRPPOX
SCHEMBL29414031 0.92 MEN1 (0.62) MEN1KMT2ATDP1TTRPPOX
SCHEMBL29392315 0.92 MEN1 (0.62) MEN1KMT2ATDP1TTRPPOX
SCHEMBL8187092 0.92 MEN1 (0.62) MEN1KMT2ATDP1TTRPPOX
SCHEMBL29908511 0.92 MEN1 (0.62) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10379059 0.89 MEN1 (0.59) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10728481 0.88 MEN1 (0.54) MEN1KMT2ATDP1TTRPPOX
SCHEMBL203525 0.88 MEN1 (0.66) MEN1KMT2ATDP1TTRPPOX
SCHEMBL2809126 0.88 MEN1 (0.66) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0186989-B1 5-(2-CHLORO-4-TRIFLUOROMETHYLPHENOXY)-2-NITRO-ALPHA-SUBSTITUTED-ACETOPHENONE, OXIME DERIVATIVE THEREOF, PROCESS FOR PREPARING THEREOF, HERBICIDAL COMPOSITION, AND METHOD FOR THE DESTRUCTION OF UNDESIRABLE WEEDS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1990-09-26 — — EP disclosed
US-4708734-A HIGH SELECTIVITY ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1987-11-24 — — US disclosed
EP-0186989-A2 5-(2-chloro-4-trifluoromethylphenoxy)-2-nitro-alpha-substituted-acetophenone, oxime derivative thereof, process for preparing thereof, herbicidal composition, and method for the destruction of undesirable weeds Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1986-07-09 — — EP disclosed
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