SCHEMBL21153897

SCHEMBL21153897

N=C(/N=C(\Nn1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21)c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HDAC4 P56524 1/20 0.34
PTGER4 P35408 1/20 0.33
PTPN1 P18031 1/20 0.32
EDNRB P24530 1/20 0.30
EDNRA P25101 1/20 0.30
AKR1C4 P17516 1/20 0.30
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
AKR1C1 Q04828 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
SCHEMBL21153895 0.98 L3MBTL1 (0.36) KDM4EATML3MBTL1HDAC4PTGER4
SCHEMBL21153900 0.97 L3MBTL1 (0.40) KDM4EATML3MBTL1HDAC4PTGER4
SCHEMBL21154286 0.95 KDM4E (0.31) KDM4EATML3MBTL1HDAC4EDNRB
SCHEMBL21153953 0.91 KDM4E (0.32) KDM4EATML3MBTL1
SCHEMBL21153951 0.91 NR4A2 (0.31)
SCHEMBL21154296 0.90 KDM4E (0.32) KDM4EATML3MBTL1
SCHEMBL21153946 0.90 KDM4E (0.32) KDM4EATML3MBTL1
SCHEMBL21154356 0.89 KDM4E (0.32) KDM4EATML3MBTL1PTGER4
SCHEMBL23600665 0.87 PTGER4 (0.31) PTGER4
SCHEMBL21153941 0.87 KDM4E (0.37) KDM4EATML3MBTL1HDAC4PTGER4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2568030-B1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING SAME, AND DISPLAY DEVICE INCLUDING ORGANIC LIGHT EMITTING DIODE CHEIL IND INC (KR) 2019-12-25 EP disclosed
EP-3514846-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING SAME, AND DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT EMITTING DIODE Cheil Industries Inc. (KR) 2019-07-24 EP disclosed
EP-3509121-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING SAME, AND DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT EMITTING DIODE Cheil Industries Inc. (KR) 2019-07-10 EP disclosed