SCHEMBL10378106

SCHEMBL10378106

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

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.65
▸ MEN1 O00255 3/20 0.65
▸ KMT2A Q03164 3/20 0.65
▸ TTR P02766 1/20 0.65
▸ PPOX P50336 1/20 0.65
▸ FFAR1 O14842 5/20 0.42
▸ LMNA P02545 6/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ MAPT P10636 4/20 0.40
▸ POLB P06746 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ CCR6 P51684 1/20 0.40
▸ GPR55 Q9Y2T6 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ PYGL P06737 1/20 0.38
▸ HPGD P15428 2/20 0.38
▸ MRGPRX4 Q96LA9 1/20 0.37

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
SCHEMBL10378971 0.93 MEN1 (0.61) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10603393 0.89 MEN1 (0.69) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10379351 0.87 TDP1 (0.71) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10736296 0.86 MEN1 (0.58) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10377667 0.86 MEN1 (0.65) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10379492 0.86 MEN1 (0.61) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10377718 0.85 TDP1 (0.81) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10379350 0.85 MEN1 (0.68) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10604884 0.84 MEN1 (0.67) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10822564 0.84 MEN1 (0.69) TDP1MEN1KMT2ATTRPPOX

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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