SCHEMBL21755569

SCHEMBL21755569

c1ccc(-n2c3ccccc3c3c2ccc2c4c(-c5cccc6c5c5ccccc5n6-c5ccc(-n6c7ccccc7c7c6ccc6c8ccccc8n(-c8ccccc8)c67)cc5)cccc4n(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
ATM Q13315 1/20 0.51
DUSP3 P51452 1/20 0.37
HDAC4 P56524 1/20 0.34
ALDH1A1 P00352 3/20 0.34
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
PTPN1 P18031 2/20 0.33
MAPK14 Q16539 1/20 0.33
KMT2A Q03164 3/20 0.32
MAPK8 P45983 2/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 2/20 0.32
USP2 O75604 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
IL1R1 P14778 1/20 0.32
MAPK9 P45984 1/20 0.31

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
SCHEMBL19769615 0.92 L3MBTL1 (0.49) KDM4EL3MBTL1ATMDUSP3HDAC4
SCHEMBL19769655 0.92 L3MBTL1 (0.49) KDM4EL3MBTL1ATMDUSP3HDAC4
SCHEMBL17245455 0.91 L3MBTL1 (0.62) KDM4EL3MBTL1ATMHDAC4ALDH1A1
SCHEMBL12691126 0.91 L3MBTL1 (0.62) KDM4EL3MBTL1ATMHDAC4ALDH1A1
SCHEMBL26060236 0.91 L3MBTL1 (0.62) KDM4EL3MBTL1ATMHDAC4ALDH1A1
SCHEMBL31744513 0.91 L3MBTL1 (0.62) KDM4EL3MBTL1ATMHDAC4ALDH1A1
SCHEMBL10027641 0.91 L3MBTL1 (0.62) KDM4EL3MBTL1ATMHDAC4ALDH1A1
SCHEMBL10027526 0.91 L3MBTL1 (0.62) KDM4EL3MBTL1ATMHDAC4ALDH1A1
SCHEMBL16999434 0.90 L3MBTL1 (0.44) KDM4EL3MBTL1ATMDUSP3ALDH1A1
SCHEMBL12456509 0.90 L3MBTL1 (0.60) KDM4EL3MBTL1ATMHDAC4ALDH1A1

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-10573839-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2020-02-25 US disclosed