SCHEMBL11278447

SCHEMBL11278447

O=C(c1ccc(Oc2ccc([N+](=O)[O-])cc2)c(Cl)c1)C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
MAPT P10636 3/20 0.57
PDE7A Q13946 1/20 0.55
MEN1 O00255 7/20 0.54
KMT2A Q03164 7/20 0.54
GAA P10253 2/20 0.54
PKM P14618 1/20 0.54
HSPB1 P04792 3/20 0.48
TTR P02766 1/20 0.47
PPOX P50336 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
SRD5A2 P31213 1/20 0.46
LMNA P02545 2/20 0.45
GPR55 Q9Y2T6 1/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL11280567 0.85 MEN1 (0.48) ALDH1A1MAPTPDE7AMEN1KMT2A
SCHEMBL11281365 0.82 MEN1 (0.73) ALDH1A1MAPTPDE7AMEN1KMT2A
SCHEMBL27395756 0.81 MEN1 (0.61) ALDH1A1MAPTPDE7AMEN1KMT2A
SCHEMBL3509441 0.79 PDE7A (0.68) ALDH1A1MAPTPDE7AMEN1KMT2A
Nitrofluorfen SCHEMBL39312 0.79 MEN1 (0.63) ALDH1A1MAPTPDE7AMEN1KMT2A
Nitrofluorfen SCHEMBL8537296 0.79 MEN1 (0.63) ALDH1A1MAPTPDE7AMEN1KMT2A
Nitrofluorfen SCHEMBL29370618 0.79 MEN1 (0.63) ALDH1A1MAPTPDE7AMEN1KMT2A
Nitrofluorfen SCHEMBL11297383 0.78 MEN1 (0.62) ALDH1A1MAPTPDE7AMEN1KMT2A
Nitrofluorfen SCHEMBL11297390 0.78 MEN1 (0.62) ALDH1A1MAPTPDE7AMEN1KMT2A
SCHEMBL10684747 0.77 PDE7A (0.58) ALDH1A1MAPTPDE7AMEN1KMT2A

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