SCHEMBL22802113

SCHEMBL22802113

c1ccc(-c2nc(-c3ccccc3)nc(-n3c4cc(-c5ccc6ccccc6c5)ccc4c4ccc(N(c5ccccc5)c5ccc6c(c5)oc5ccccc56)cc43)n2)cc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HCRTR1 O43613 1/20 0.33
AURKA O14965 1/20 0.30
AURKB Q96GD4 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
SCHEMBL22800791 0.99 KDM4E (0.33) KDM4EMEN1ALDH1A1TP53CYP1A2
SCHEMBL22800812 0.97 HCRTR1 (0.34) KDM4EMEN1ALDH1A1TP53CYP1A2
SCHEMBL22800804 0.94 HCRTR1 (0.34) KDM4EMEN1ALDH1A1TP53CYP1A2
SCHEMBL22802258 0.94 HCRTR1 (0.33) KDM4EMEN1ALDH1A1CYP1A2KMT2A
SCHEMBL22802114 0.94 HCRTR1 (0.33) KDM4EMEN1ALDH1A1CYP1A2KMT2A
SCHEMBL22800799 0.93 KDM4E (0.33) KDM4EMEN1ALDH1A1TP53CYP1A2
SCHEMBL22802120 0.93 HCRTR1 (0.33) KDM4EMEN1ALDH1A1CYP1A2KMT2A
SCHEMBL22802122 0.92 HCRTR1 (0.35) KDM4EMEN1ALDH1A1CYP1A2KMT2A
SCHEMBL22802121 0.92 HCRTR1 (0.35) KDM4EMEN1ALDH1A1CYP1A2KMT2A
SCHEMBL22800266 0.90 MEN1 (0.37) KDM4EMEN1ALDH1A1TP53CYP1A2

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-11569455-B2 Compound for organic optoelectronic device, organic optoelectronic device, and display device SAMSUNG SDI CO., LTD. (KR) 2023-01-31 US disclosed
US-20200395551-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2020-12-17 US disclosed