SCHEMBL5364554

SCHEMBL5364554

Cc1[nH]n(-c2ccccc2)c(=O)c1C(=O)CC(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
NPSR1 Q6W5P4 3/20 0.55
MAPT P10636 6/20 0.54
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 2/20 0.54
GAA P10253 7/20 0.53
LMNA P02545 2/20 0.53
ALOX15 P16050 2/20 0.53
APAF1 O14727 1/20 0.53
TDP2 O95551 1/20 0.53
THRB P10828 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.48
ABCB1 P08183 1/20 0.47
HTT P42858 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C19 P33261 2/20 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
SCHEMBL5361034 0.88 MAPT (0.60) MEN1KMT2ANPSR1MAPTKDM4E
SCHEMBL1261207 0.88 MEN1 (0.58) MEN1KMT2ANPSR1MAPTKDM4E
SCHEMBL6802338 0.86 MEN1 (0.56) MEN1KMT2ANPSR1MAPTKDM4E
SCHEMBL11203657 0.83 MAPT (0.63) MEN1KMT2ANPSR1MAPTKDM4E
SCHEMBL7113254 0.82 NPSR1 (0.63) MEN1KMT2ANPSR1MAPTKDM4E
SCHEMBL10635855 0.82 KMT2A (0.60) MEN1KMT2ANPSR1MAPTKDM4E
SCHEMBL9781114 0.82 KMT2A (0.60) MEN1KMT2ANPSR1MAPTKDM4E
SCHEMBL5362875 0.81 MEN1 (0.59) MEN1KMT2ANPSR1MAPTKDM4E
SCHEMBL11395753 0.81 KMT2A (0.63) MEN1KMT2ANPSR1MAPTKDM4E
SCHEMBL11205090 0.81 MAPT (0.64) 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