SCHEMBL21707364

SCHEMBL21707364

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc5ccccc5nc4-c4ccc5oc6ccccc6c5c4)cc3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
ATM Q13315 2/20 0.48
L3MBTL1 Q9Y468 5/20 0.47
KDM4E B2RXH2 6/20 0.44
LMNA P02545 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
GAA P10253 2/20 0.44
ALDH1A1 P00352 5/20 0.43
THRB P10828 1/20 0.43
CHEK2 O96017 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 2/20 0.41
HPGD P15428 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
AKT1 P31749 1/20 0.39
AKT2 P31751 1/20 0.39
WHR1 P49842 1/20 0.39

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
SCHEMBL23606759 0.96 MEN1 (0.47) KMT2AMEN1ATML3MBTL1KDM4E
SCHEMBL23606966 0.95 PLA2G2A (0.44) KMT2AMEN1ATML3MBTL1KDM4E
SCHEMBL25097946 0.93 L3MBTL1 (0.44) KMT2AMEN1ATML3MBTL1KDM4E
SCHEMBL25097962 0.89 L3MBTL1 (0.40) KMT2AMEN1ATML3MBTL1KDM4E
SCHEMBL25463378 0.89 MEN1 (0.58) KMT2AMEN1ATMKDM4ELMNA
SCHEMBL23606700 0.89 MEN1 (0.62) KMT2AMEN1ATMKDM4ELMNA
SCHEMBL23268362 0.88 HPGD (0.50) KMT2AMEN1ATML3MBTL1KDM4E
SCHEMBL17214814 0.88 HPGD (0.50) KMT2AMEN1ATML3MBTL1KDM4E
SCHEMBL15501785 0.88 HPGD (0.50) KMT2AMEN1ATML3MBTL1KDM4E
SCHEMBL25462889 0.88 MEN1 (0.43) KMT2AMEN1ATML3MBTL1KDM4E

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-2020032428-A1 ORGANIC ELECTRIC ELEMENT COMPRISING COMPOUND FOR ORGANIC ELECTRIC ELEMENT AND ELECTRONIC DEVICE USING SAME 덕산네오룩스 주식회사 2020-02-13 WO disclosed