SCHEMBL10776335

SCHEMBL10776335

CCCCC(CCC)OP(=O)(O)CNC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ TDP1 Q9NUW8 3/20 0.56
▸ TTR P02766 1/20 0.56
▸ PPOX P50336 1/20 0.56
▸ LMNA P02545 5/20 0.39
▸ MAPT P10636 5/20 0.39
▸ POLB P06746 2/20 0.39
▸ CCR6 P51684 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ GPR55 Q9Y2T6 1/20 0.39
▸ FFAR1 O14842 2/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ MRGPRX4 Q96LA9 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36

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
SCHEMBL10776239 0.90 MEN1 (0.41) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10778474 0.88 LMNA (0.43) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10776157 0.87 TDP1 (0.61) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10776144 0.85 RAB9A (0.43) MAPTPOLBNPSR1
SCHEMBL10776324 0.84 TDP1 (0.61) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10994712 0.84 TDP1 (0.70) MEN1KMT2ATDP1TTRPPOX
SCHEMBL9768703 0.82 TDP1 (0.73) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10776151 0.82 MEN1 (0.65) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10989215 0.80 MEN1 (0.58) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11365004 0.80 TDP1 (0.69) 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 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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