SCHEMBL11055946

SCHEMBL11055946

CCP(=O)(SCOC(=O)c1ccccc1)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ TTR P02766 1/20 0.54
▸ PPOX P50336 1/20 0.54
▸ LMNA P02545 5/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ FFAR1 O14842 3/20 0.41
▸ MAPT P10636 3/20 0.39
▸ MRGPRX4 Q96LA9 4/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ CCR6 P51684 1/20 0.39
▸ GPR55 Q9Y2T6 1/20 0.39
▸ PYGL P06737 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38

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
SCHEMBL11046974 0.89 MEN1 (0.54) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11049706 0.85 TDP1 (0.55) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10852601 0.80 MEN1 (0.62) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11047249 0.79 MEN1 (0.54) TDP1MEN1KMT2ATTRPPOX
Hydrochloric Acid SCHEMBL10855963 0.79 MEN1 (0.61) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11051747 0.79 MEN1 (0.53) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10853995 0.79 TDP1 (0.60) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11116937 0.78 TDP1 (0.72) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10857365 0.78 TDP1 (0.60) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10948222 0.78 MEN1 (0.62) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4456465-A HERBICIDES ZOECON CORPORATION (US) 1984-06-26 — — US disclosed
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