SCHEMBL20114592

SCHEMBL20114592

c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)Oc6ccccc6N7c6ccccc6)cc5)ccc43)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EDNRA P25101 5/20 0.36
EDNRB P24530 3/20 0.36
TSPO P30536 2/20 0.34
FAAH O00519 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSP90AA1 P07900 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
MGLL Q99685 1/20 0.33
DNM1 Q05193 1/20 0.32
HDAC4 P56524 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
SCHEMBL20114123 1.00 ATM (0.38) ATMKDM4EL3MBTL1EDNRAEDNRB
SCHEMBL20114184 0.99 EDNRA (0.38) ATMKDM4EL3MBTL1EDNRAEDNRB
SCHEMBL20114199 0.98 ATM (0.38) ATMKDM4EL3MBTL1EDNRAEDNRB
SCHEMBL20114355 0.95 ATM (0.41) ATMKDM4EL3MBTL1EDNRAEDNRB
SCHEMBL20114117 0.95 L3MBTL1 (0.40) ATMKDM4EL3MBTL1EDNRAEDNRB
SCHEMBL20114207 0.94 ATM (0.40) ATMKDM4EL3MBTL1EDNRAEDNRB
SCHEMBL20114113 0.94 KDM4E (0.37) ATMKDM4EL3MBTL1EDNRAEDNRB
SCHEMBL20114040 0.94 L3MBTL1 (0.42) ATMKDM4EL3MBTL1EDNRAEDNRB
SCHEMBL15470144 0.94 L3MBTL1 (0.42) ATMKDM4EL3MBTL1EDNRAEDNRB
SCHEMBL20114090 0.94 L3MBTL1 (0.42) ATMKDM4EL3MBTL1EDNRAEDNRB

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
WO-2018080067-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING SAME 주식회사 두산 2018-05-03 WO disclosed