SCHEMBL10379130

SCHEMBL10379130

COC(=O)C(C)SC(=O)C(C)OCC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.58
▸ KMT2A Q03164 4/20 0.58
▸ TDP1 Q9NUW8 2/20 0.58
▸ TTR P02766 1/20 0.58
▸ PPOX P50336 1/20 0.58
▸ FFAR1 O14842 2/20 0.40
▸ LMNA P02545 5/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ MAPT P10636 4/20 0.37
▸ POLB P06746 2/20 0.37
▸ CCR6 P51684 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ GPR55 Q9Y2T6 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ PPARD Q03181 1/20 0.36
▸ PYGL P06737 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ SLC6A4 P31645 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
SCHEMBL10734730 0.93 TDP1 (0.57) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10377482 0.91 TDP1 (0.65) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10735777 0.88 TDP1 (0.61) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10736296 0.88 MEN1 (0.58) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10379492 0.87 MEN1 (0.61) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10379379 0.87 MEN1 (0.61) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10378923 0.86 TDP1 (0.69) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10377739 0.86 MEN1 (0.54) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10379289 0.86 TDP1 (0.64) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10378684 0.86 TDP1 (0.64) 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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