SCHEMBL14010068

SCHEMBL14010068

COc1ccc(N2C(=O)c3ccc(Oc4ccc5c(c4)C(=O)N(c4cccc(Oc6ccc(-c7ccc(Oc8cccc(C)c8)cc7)cc6)c4)C5=O)cc3C2=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.58
KMT2A Q03164 7/20 0.58
BRD4 O60885 1/20 0.56
ESR1 P03372 1/20 0.52
ALDH1A1 P00352 8/20 0.51
MAPT P10636 3/20 0.51
HTT P42858 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 2/20 0.49
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 2/20 0.48
LMNA P02545 1/20 0.48
RAB9A P51151 1/20 0.48
MCHR1 Q99705 1/20 0.47
GAA P10253 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NR1H3 Q13133 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
SCHEMBL14010059 0.94 BRD4 (0.60) MEN1KMT2ABRD4ALDH1A1MAPT
SCHEMBL14729123 0.89 MEN1 (0.57) MEN1KMT2ABRD4ESR1ALDH1A1
SCHEMBL16706899 0.87 MEN1 (0.60) MEN1KMT2ABRD4ESR1ALDH1A1
SCHEMBL26030942 0.85 MEN1 (0.51) MEN1KMT2ABRD4ALDH1A1MAPT
SCHEMBL14010061 0.84 BRD4 (0.54) MEN1KMT2ABRD4ESR1ALDH1A1
SCHEMBL13899508 0.84 MEN1 (0.59) MEN1KMT2ABRD4ALDH1A1MAPT
SCHEMBL12341699 0.84 MEN1 (0.73) MEN1KMT2ABRD4ESR1ALDH1A1
SCHEMBL13533865 0.84 BRD4 (0.55) MEN1KMT2ABRD4ESR1ALDH1A1
SCHEMBL14729121 0.83 MEN1 (0.59) MEN1KMT2ABRD4ESR1ALDH1A1
SCHEMBL21557390 0.83 MEN1 (0.51) MEN1KMT2ABRD4ESR1ALDH1A1

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-7445852-B2 Magnetic substrate, laminate of magnetic substrate and method for producing thereof MITSUI CHEMICALS, INC. (JP) 2008-11-04 US disclosed