SCHEMBL11276245

SCHEMBL11276245

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.70
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
TTR P02766 1/20 0.57
PPOX P50336 1/20 0.57
EPAS1 Q99814 7/20 0.55
ALDH3A1 P30838 1/20 0.55
PTPN1 P18031 1/20 0.53
ALDH1A1 P00352 4/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
TBXA2R P21731 1/20 0.40
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40

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
SCHEMBL11276412 0.88 TDP1 (0.56) TDP1MEN1KMT2ATTRPPOX
Acifluorfen-Methyl SCHEMBL31614705 0.85 MEN1 (0.78) TDP1MEN1KMT2ATTRPPOX
Acifluorfen-Methyl SCHEMBL30749491 0.85 MEN1 (0.78) TDP1MEN1KMT2ATTRPPOX
Acifluorfen-Methyl SCHEMBL39092 0.85 MEN1 (0.78) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10683733 0.84 TDP1 (0.73) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10786433 0.83 TDP1 (0.79) TDP1MEN1KMT2ATTRPPOX
Bifenox SCHEMBL38816 0.83 TDP1 (1.00) TDP1MEN1KMT2ATTRPPOX
Bifenox SCHEMBL8541647 0.83 TDP1 (1.00) TDP1MEN1KMT2ATTRPPOX
Bifenox SCHEMBL30862569 0.83 TDP1 (1.00) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11276396 0.83 TDP1 (0.83) 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-4358308-A PREEMERGENT AND POSTEMERGENT APPLICATION ROHM AND HAAS COMPANY (US) 1982-11-09 US disclosed