SCHEMBL17809396

SCHEMBL17809396

c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccc(-c7ccccc7)cc6)c54)n3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC4 P56524 1/20 0.36
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
PTPN1 P18031 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPT P10636 1/20 0.32
NR3C1 P04150 1/20 0.32
AVPR1A P37288 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
IL1R1 P14778 1/20 0.32

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
SCHEMBL26054559 1.00 ATM (0.41) ATMKDM4EL3MBTL1HDAC4KMT2A
SCHEMBL18593795 1.00 ATM (0.41) ATMKDM4EL3MBTL1HDAC4KMT2A
SCHEMBL18124909 1.00 ATM (0.41) ATMKDM4EL3MBTL1HDAC4KMT2A
SCHEMBL26052765 1.00 ATM (0.41) ATMKDM4EL3MBTL1HDAC4KMT2A
SCHEMBL26052748 0.99 ATM (0.42) ATMKDM4EL3MBTL1HDAC4KMT2A
SCHEMBL24550378 0.97 L3MBTL1 (0.45) ATMKDM4EL3MBTL1HDAC4KMT2A
SCHEMBL17189507 0.97 L3MBTL1 (0.45) ATMKDM4EL3MBTL1HDAC4KMT2A
SCHEMBL16522992 0.97 L3MBTL1 (0.45) ATMKDM4EL3MBTL1HDAC4KMT2A
SCHEMBL21365848 0.97 L3MBTL1 (0.45) ATMKDM4EL3MBTL1HDAC4KMT2A
SCHEMBL18593797 0.97 L3MBTL1 (0.45) ATMKDM4EL3MBTL1HDAC4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180182970-A1 COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-06-28 US disclosed
US-20180182970-A1 COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-06-28 US disclosed
US-20160163995-A1 ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2016-06-09 US disclosed
US-20160163995-A1 ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2016-06-09 US disclosed