SCHEMBL2550199

SCHEMBL2550199

O=C(CBr)COc1cccc(C(F)(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.63
MAOB P27338 2/20 0.55
AOC3 Q16853 1/20 0.55
MRGPRX4 Q96LA9 1/20 0.52
ALDH1A1 P00352 4/20 0.50
GAA P10253 3/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
HTT P42858 1/20 0.50
NR4A2 P43354 1/20 0.49
KMT2A Q03164 2/20 0.47
ENPP2 Q13822 2/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL8510279 0.85 KDM4E (0.63) KDM4EMAOBAOC3MRGPRX4ALDH1A1
SCHEMBL5571188 0.85 KDM4E (0.63) KDM4EMAOBAOC3MRGPRX4ALDH1A1
SCHEMBL31645913 0.83 KDM4E (0.68) KDM4EMAOBAOC3MRGPRX4ALDH1A1
SCHEMBL585546 0.83 KDM4E (0.68) KDM4EMAOBAOC3MRGPRX4ALDH1A1
SCHEMBL3250233 0.82 L3MBTL1 (0.54) KDM4EMAOBAOC3MRGPRX4ALDH1A1
SCHEMBL13642053 0.81 KDM4E (0.67) KDM4EMAOBAOC3MRGPRX4ALDH1A1
SCHEMBL9811742 0.81 KDM4E (0.67) KDM4EMAOBAOC3MRGPRX4ALDH1A1
SCHEMBL10932863 0.81 KDM4E (0.71) KDM4EMAOBAOC3MRGPRX4ALDH1A1
SCHEMBL30517922 0.81 KDM4E (0.67) KDM4EMAOBAOC3MRGPRX4ALDH1A1
SCHEMBL13641800 0.81 KDM4E (0.63) KDM4EMAOBAOC3MRGPRX4ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2552889-A1 FUNGICIDAL IMINODERIVATIVES BASF SE (DE) 2013-02-06 EP disclosed
WO-2011120912-A1 FUNGICIDAL IMINODERIVATIVES BASF SE (DE) 2011-10-06 WO disclosed