SCHEMBL5364495

SCHEMBL5364495

Cc1[nH]n(-c2ccccc2)c(=O)c1C(=O)CC(F)(F)F.Oc1ccccc1C1c2cccc(c2O)N1[Al]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
NPSR1 Q6W5P4 3/20 0.38
MAPT P10636 6/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 6/20 0.38
LMNA P02545 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
APAF1 O14727 1/20 0.38
TDP2 O95551 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
POLB P06746 2/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
AR P10275 1/20 0.34

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
SCHEMBL5367952 0.88 MEN1 (0.40) MEN1KMT2ANPSR1MAPTKDM4E
SCHEMBL5358598 0.86 KMT2A (0.43) MEN1KMT2ANPSR1MAPTKDM4E
SCHEMBL5364554 0.80 MEN1 (0.56) MEN1KMT2ANPSR1MAPTKDM4E
SCHEMBL5361034 0.78 MAPT (0.60) MEN1KMT2ANPSR1MAPTKDM4E
SCHEMBL1261207 0.70 MEN1 (0.58) MEN1KMT2ANPSR1MAPTKDM4E
SCHEMBL5358180 0.69 SLC6A2 (0.36) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL6802338 0.69 MEN1 (0.56) MEN1KMT2ANPSR1MAPTKDM4E
SCHEMBL11203657 0.66 MAPT (0.63) MEN1KMT2ANPSR1MAPTKDM4E
SCHEMBL9781114 0.65 KMT2A (0.60) MEN1KMT2ANPSR1MAPTKDM4E
SCHEMBL7113254 0.65 NPSR1 (0.63) MEN1KMT2ANPSR1MAPTKDM4E

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
US-7232616-B2 Organic electroluminescent materials and devices made from such materials TSINGHUA UNIVERSITY (CN) 2007-06-19 US disclosed
US-20040001970-A1 Organic electroluminescent materials and devices made from such materials TSINGHUA UNIVERSITY (CN) 2004-01-01 US disclosed