SCHEMBL28070710

SCHEMBL28070710

Cc1cc(C)cc(-c2cc3ccc4c(N)ccc5ccc(c2N)c3c54)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
CYP3A4 P08684 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
KMT2A Q03164 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 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
SCHEMBL22589048 0.88 MEN1 (0.39) ALDH1A1HPGDHSD17B10KDM4ELMNA
SCHEMBL29444827 0.87 MAOB (0.40) ALDH1A1HPGDHSD17B10KDM4ELMNA
SCHEMBL1666830 0.87 MAOB (0.40) ALDH1A1HPGDHSD17B10KDM4ELMNA
SCHEMBL28798068 0.83 CYP3A4 (0.34) ALDH1A1HPGDHSD17B10KDM4ELMNA
SCHEMBL29444822 0.82 ALDH1A1 (0.38) ALDH1A1HPGDHSD17B10KDM4ELMNA
SCHEMBL28115335 0.81 ALDH1A1 (0.38) ALDH1A1HSD17B10KDM4ESMN1; SMN2MEN1
SCHEMBL28188087 0.81 ALDH1A1 (0.38) ALDH1A1HSD17B10KDM4ESMN1; SMN2MEN1
SCHEMBL28070709 0.80 TP53 (0.32) ALDH1A1HPGDHSD17B10KDM4ELMNA
SCHEMBL5748696 0.79 TDP1 (0.43) ALDH1A1HPGDHSD17B10KDM4ELMNA
SCHEMBL28403952 0.79 ALDH1A1 (0.42) ALDH1A1HPGDHSD17B10KDM4ELMNA

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