SCHEMBL19945109

SCHEMBL19945109

c1ccc(-c2cc(-c3ccccn3)cc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6cc(-c7ccccn7)cc(-c7nc(-c8cccc9ccccc89)nc(-c8cccc9ccccc89)n7)c6)n5)c4)n3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.47
KDM4E B2RXH2 7/20 0.47
TP53 P04637 5/20 0.47
HSD17B10 Q99714 4/20 0.47
MAPK1 P28482 4/20 0.47
HPGD P15428 4/20 0.47
NPC1 O15118 4/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
TGFBR1 P36897 1/20 0.42
TSHR P16473 3/20 0.40
HTR2C P28335 1/20 0.40
TDP1 Q9NUW8 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
ATM Q13315 1/20 0.39
METAP1 P53582 1/20 0.39
LMNA P02545 5/20 0.39

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
SCHEMBL22383229 0.98 SMN1; SMN2 (0.49) SMN1; SMN2KDM4ETP53HSD17B10MAPK1
SCHEMBL21981986 0.90 KDM4E (0.51) SMN1; SMN2KDM4ETP53HSD17B10MAPK1
SCHEMBL17343238 0.89 KDM4E (0.57) SMN1; SMN2KDM4ETP53HSD17B10MAPK1
SCHEMBL19039897 0.88 SMN1; SMN2 (0.48) SMN1; SMN2KDM4ETP53HSD17B10MAPK1
SCHEMBL19039896 0.87 SMN1; SMN2 (0.50) SMN1; SMN2KDM4ETP53HSD17B10MAPK1
SCHEMBL2951921 0.87 KDM4E (0.53) SMN1; SMN2KDM4ETP53HSD17B10MAPK1
SCHEMBL9958139 0.86 ALDH1A1 (0.47) SMN1; SMN2KDM4ETP53HSD17B10MAPK1
SCHEMBL17343240 0.86 KDM4E (0.50) SMN1; SMN2KDM4ETP53HSD17B10MAPK1
SCHEMBL17343267 0.86 KDM4E (0.51) SMN1; SMN2KDM4ETP53HSD17B10MAPK1
SCHEMBL22309614 0.83 ALDH1A1 (0.46) SMN1; SMN2KDM4ETP53HSD17B10MAPK1

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
US-20180069181-A1 ORGANIC LIGHT EMITTING DEVICE AND DISPLAY DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO LTD (KR) 2018-03-08 US disclosed