SCHEMBL10776324

SCHEMBL10776324

CCCCOP(=O)(CNC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-])OCCCC

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.61
▸ MEN1 O00255 3/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ TTR P02766 1/20 0.61
▸ PPOX P50336 1/20 0.61
▸ LMNA P02545 6/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 5/20 0.42
▸ CCR6 P51684 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ GPR55 Q9Y2T6 1/20 0.42
▸ GAA P10253 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ FFAR1 O14842 2/20 0.40
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ PPARG P37231 2/20 0.40
▸ PYGL P06737 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
SCHEMBL10776151 0.93 MEN1 (0.65) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10776233 0.89 KMT2A (0.44) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10778468 0.86 LMNA (0.46) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10994712 0.86 TDP1 (0.70) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9768703 0.86 TDP1 (0.73) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11365004 0.85 TDP1 (0.69) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10907642 0.85 TDP1 (0.66) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10776335 0.84 MEN1 (0.56) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10776134 0.84 RAB9A (0.46) LMNAPOLBMAPTNPSR1
SCHEMBL9768715 0.83 MEN1 (0.66) 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-4685952-A Benzoylaminoalkylenephosphonic acids or esters thereof, herbicidal compositions containing same and their herbicidal use TEIJIN LIMITED (JP) 1987-08-11 — — US disclosed
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