SCHEMBL28070709

SCHEMBL28070709

Cc1cc(C)cc(-c2cc(N)c3ccc4ccc(N)c5cc(-c6cc(C)cc(C)c6)c2c3c45)c1

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
KMT2A Q03164 1/20 0.30
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL28798068 0.88 CYP3A4 (0.34) TP53CYP3A4THRBALOX15SMN1; SMN2
SCHEMBL28070710 0.80 ALDH1A1 (0.34) TP53CYP3A4THRBALOX15SMN1; SMN2
SCHEMBL5748696 0.75 TDP1 (0.43) TP53CYP3A4THRBALOX15SMN1; SMN2
M-Xylene SCHEMBL28369108 0.73 ACHE (0.48) TP53CYP3A4THRBALOX15SMN1; SMN2
SCHEMBL29372072 0.70 KEAP1 (0.42) TP53CYP3A4THRBALOX15SMN1; SMN2
SCHEMBL867279 0.70 KEAP1 (0.42) TP53CYP3A4THRBALOX15SMN1; SMN2
SCHEMBL866016 0.70 KEAP1 (0.42) TP53CYP3A4THRBALOX15SMN1; SMN2
SCHEMBL22589048 0.68 MEN1 (0.39) TP53CYP3A4THRBALOX15SMN1; SMN2
SCHEMBL29444827 0.68 MAOB (0.40) TP53CYP3A4THRBALOX15SMN1; SMN2
SCHEMBL1666830 0.68 MAOB (0.40) TP53CYP3A4THRBALOX15SMN1; SMN2

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
CN-105658606-A Anthracene compound; light-emitting-layer material; and organic electroluminescent element, display device, and illumination device using same 捷恩智株式会社 2016-06-08 CN disclosed