SCHEMBL23487221

SCHEMBL23487221

c1ccc(-c2nc(-n3c4cccc5c6ccccc6c6ccccc6n6c7ccccc7c3c6c54)nc3c2ccc2ccccc23)cc1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
L3MBTL1 Q9Y468 3/20 0.31
LMNA P02545 2/20 0.30
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
RECQL P46063 1/20 0.30
MMP14 P50281 1/20 0.30
KMT2A Q03164 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
SCHEMBL23486922 0.94 MAPT (0.31) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL23438206 0.87 KDM4E (0.32) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL22036672 0.87 KDM4E (0.32) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL21449171 0.87 KDM4E (0.32) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL23487193 0.86 TP53 (0.35) KDM4EALDH1A1MAPTMAPK1
SCHEMBL24596657 0.86 ALDH1A1 (0.38) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL23487186 0.85 ALDH1A1 (0.47) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL23438207 0.85 KDM4E (0.31) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL20070564 0.85 KDM4E (0.31) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL26528380 0.85 KDM4E (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-2021112478-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-06-10 WO disclosed