SCHEMBL9703998

SCHEMBL9703998

CCOC(=O)/C(Br)=N\Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 9/20 0.59
KMT2A Q03164 4/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
MEN1 O00255 3/20 0.52
GAA P10253 2/20 0.52
MAPT P10636 12/20 0.50
LMNA P02545 3/20 0.50
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
PKM P14618 1/20 0.48
THRB P10828 1/20 0.47

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
SCHEMBL9704003 1.00 MAPK1 (0.59) MAPK1KMT2AL3MBTL1MEN1GAA
SCHEMBL7976022 0.81 GPR35 (0.57) MAPK1KMT2AL3MBTL1MEN1GAA
SCHEMBL9666509 0.78 MAPK1 (0.67) MAPK1KMT2AL3MBTL1MEN1GAA
SCHEMBL9705730 0.78 KMT2A (0.50) MAPK1KMT2AL3MBTL1MEN1GAA
SCHEMBL9705734 0.78 KMT2A (0.50) MAPK1KMT2AL3MBTL1MEN1GAA
SCHEMBL10479716 0.75 GAA (0.64) KMT2AMEN1GAAMAPTLMNA
SCHEMBL34471139 0.75 MAPT (0.53) MAPK1KMT2AL3MBTL1MEN1GAA
SCHEMBL8609704 0.75 MAPT (0.62) MAPK1KMT2AMEN1GAAMAPT
SCHEMBL9364671 0.74 GPR35 (0.60) MAPK1KMT2AMEN1MAPTLMNA
SCHEMBL2970798 0.74 MAPT (0.55) MAPK1KMT2AL3MBTL1MEN1GAA

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
WO-1992013451-A1 IMIDAZOLE PESTICIDES SCHERING AGROCHEMICALS LIMITED (GB) 1992-08-20 WO disclosed