SCHEMBL19918485

SCHEMBL19918485

c1ccc2c(c1)-c1cccc3c1c-2cc1oc2ccc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4nc(-c5ccc(-c6cccc7ccccc67)cc5)c5ccccc5n4)cc2c13

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 3/20 0.31
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
MAPK1 P28482 1/20 0.30
ATM Q13315 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL19918481 0.94 KDM4E (0.31) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL19918679 0.93 ALDH1A1 (0.33) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL19918490 0.90 KDM4E (0.31) KDM4EALDH1A1HPGDMAPT
SCHEMBL19918480 0.88 L3MBTL1 (0.31) KDM4EALDH1A1HPGDL3MBTL1LMNA
SCHEMBL19918677 0.88 ALDH1A1 (0.37) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL19918678 0.87 ALDH1A1 (0.32) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL19918429 0.87 ALDH1A1 (0.33) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL19918683 0.87 ALDH1A1 (0.37) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL19918682 0.85 PTGES (0.35) KDM4EALDH1A1HPGDMAPT
SCHEMBL22894102 0.85 ALDH1A1 (0.31) KDM4EALDH1A1HPGDMAPTNPSR1

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-2018038400-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING SAME 주식회사 두산 2018-03-01 WO disclosed