SCHEMBL11272005

SCHEMBL11272005

CCOC(=O)COc1cc(Oc2ccc(S(=O)(=O)C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 1/20 0.48
PTPN1 P18031 1/20 0.48
EPAS1 Q99814 5/20 0.46
TDP1 Q9NUW8 3/20 0.45
MEN1 O00255 1/20 0.45
TTR P02766 1/20 0.45
PPOX P50336 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
NTSR1 P30989 1/20 0.42
CYP2C19 P33261 1/20 0.42
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL10686499 0.85 TDP1 (0.52) TDP1MEN1TTRPPOXKMT2A
SCHEMBL6000377 0.81 PTPN1 (0.70) ALDH3A1PTPN1EPAS1MEN1KMT2A
SCHEMBL11276245 0.78 TDP1 (0.70) ALDH3A1PTPN1EPAS1TDP1MEN1
SCHEMBL10614574 0.77 MEN1 (0.53) TDP1MEN1TTRPPOXKMT2A
Oxyfluorfen SCHEMBL7582082 0.77 MEN1 (0.61) TDP1MEN1TTRPPOXKMT2A
SCHEMBL11058504 0.77 MEN1 (0.59) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10963877 0.77 MEN1 (0.64) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10614717 0.76 MEN1 (0.53) TDP1MEN1TTRPPOXKMT2A
SCHEMBL11270517 0.76 PTPN1 (0.45) ALDH3A1PTPN1EPAS1TDP1MEN1
SCHEMBL5660875 0.75 ALDH1A1 (0.52) TDP1ALDH1A1NPSR1MAPTLMNA

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