SCHEMBL8565684

SCHEMBL8565684

O=C(c1c(F)c(F)c(F)c(F)c1F)c1cc2ccc(O)cc2oc1=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.69
KMT2A Q03164 9/20 0.69
MIF P14174 5/20 0.64
ALDH1A1 P00352 4/20 0.64
HPGD P15428 3/20 0.64
KDM4E B2RXH2 4/20 0.62
GLA P06280 3/20 0.62
GAA P10253 3/20 0.62
S1PR4 O95977 2/20 0.62
MAPT P10636 2/20 0.62
S1PR1 P21453 2/20 0.62
PKM P14618 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
RXFP1 Q9HBX9 1/20 0.57
HTT P42858 1/20 0.56
CTDSP1 Q9GZU7 1/20 0.56
PFKFB3 Q16875 1/20 0.54
LMNA P02545 1/20 0.54
HSD17B3 P37058 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL1366686 0.86 MIF (0.77) MEN1KMT2AMIFALDH1A1HPGD
SCHEMBL8566379 0.82 AKR1B10 (0.67) MEN1KMT2AMIFALDH1A1HPGD
SCHEMBL1368289 0.80 MEN1 (0.76) MEN1KMT2AMIFALDH1A1HPGD
SCHEMBL8566382 0.79 MIF (0.54) MEN1KMT2AMIFALDH1A1HPGD
SCHEMBL37883 0.79 MAOA (0.76) MEN1KMT2AMIFALDH1A1HPGD
SCHEMBL2471214 0.78 ALDH1A1 (1.00) MEN1KMT2AMIFALDH1A1HPGD
SCHEMBL893210 0.77 MEN1 (0.74) MEN1KMT2AMIFALDH1A1HPGD
SCHEMBL11070463 0.77 MEN1 (0.71) MEN1KMT2AMIFALDH1A1HPGD
SCHEMBL592707 0.77 MEN1 (1.00) MEN1KMT2AMIFALDH1A1HPGD
SCHEMBL28575753 0.77 MEN1 (0.66) MEN1KMT2AMIFALDH1A1HPGD

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-5773236-A FLUORESCENT DYES FOR DETECTION OF ENZYMES FOR METABOLISM IN CELLS MOLECULE PROBES, INC. (US) 1998-06-30 US disclosed