SCHEMBL21747150

SCHEMBL21747150

c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccc(-n7c8ccccc8c8cc(-c9ccc%10c(c9)c9ccccc9n%10-c9cccc(-n%10c%11ccccc%11c%11ccccc%11%10)c9)ccc87)cc6)cc5)c4)ccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.56
ATM Q13315 2/20 0.56
KDM4E B2RXH2 1/20 0.56
TSPO P30536 3/20 0.42
HDAC4 P56524 1/20 0.42
KMT2A Q03164 2/20 0.40
IL1R1 P14778 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
FAAH O00519 1/20 0.39
HSP90AA1 P07900 1/20 0.39
PKM P14618 1/20 0.39
MGLL Q99685 1/20 0.39
PTGER4 P35408 1/20 0.37
HTR1A P08908 1/20 0.37
HTR7 P34969 1/20 0.37
EDNRB P24530 1/20 0.37
EDNRA P25101 1/20 0.37

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
SCHEMBL20275417 0.98 ATM (0.58) L3MBTL1ATMKDM4ETSPOHDAC4
SCHEMBL15435798 0.98 L3MBTL1 (0.58) L3MBTL1ATMKDM4ETSPOHDAC4
SCHEMBL17425615 0.98 ATM (0.58) L3MBTL1ATMKDM4ETSPOHDAC4
SCHEMBL21531866 0.98 ATM (0.58) L3MBTL1ATMKDM4ETSPOHDAC4
SCHEMBL20633114 0.98 ATM (0.58) L3MBTL1ATMKDM4ETSPOHDAC4
SCHEMBL17809414 0.98 ATM (0.58) L3MBTL1ATMKDM4ETSPOHDAC4
SCHEMBL21531867 0.98 ATM (0.58) L3MBTL1ATMKDM4ETSPOHDAC4
SCHEMBL21454571 0.98 ATM (0.58) L3MBTL1ATMKDM4ETSPOHDAC4
SCHEMBL18623501 0.98 ATM (0.58) L3MBTL1ATMKDM4ETSPOHDAC4
SCHEMBL15435970 0.98 L3MBTL1 (0.58) L3MBTL1ATMKDM4ETSPOHDAC4

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-20200058874-A1 ORGANIC ELECTROLUMINESCENCE DEVICE LG DISPLAY CO., LTD. (KR) 2020-02-20 US disclosed