SCHEMBL22672103

SCHEMBL22672103

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6-c6ccccc6)ccc54)c3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.40
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
PDE10A Q9Y233 1/20 0.36
PTGER4 P35408 1/20 0.36
ALDH1A1 P00352 4/20 0.33
NPY5R Q15761 1/20 0.33
TSPO P30536 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ABCG2 Q9UNQ0 3/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
RAC2 P15153 1/20 0.32
RAC3 P60763 1/20 0.32
CDC42 P60953 1/20 0.32
RAC1 P63000 1/20 0.32
TP53 P04637 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
SCHEMBL22672134 0.97 KDM4E (0.37) ATMKDM4EL3MBTL1PDE10APTGER4
SCHEMBL21965149 0.96 KDM4E (0.39) ATMKDM4EL3MBTL1PDE10APTGER4
SCHEMBL22010677 0.95 KDM4E (0.40) ATMKDM4EL3MBTL1PDE10APTGER4
SCHEMBL21147803 0.95 KDM4E (0.44) ATMKDM4EL3MBTL1PDE10AALDH1A1
SCHEMBL21147369 0.93 ATM (0.38) ATMKDM4EL3MBTL1PDE10APTGER4
SCHEMBL21147879 0.93 ATM (0.38) ATMKDM4EL3MBTL1PDE10APTGER4
SCHEMBL21147030 0.93 ATM (0.38) ATMKDM4EL3MBTL1PDE10APTGER4
SCHEMBL21147365 0.93 ATM (0.38) ATMKDM4EL3MBTL1PDE10APTGER4
SCHEMBL21147041 0.93 ATM (0.38) ATMKDM4EL3MBTL1PDE10APTGER4
SCHEMBL21147205 0.93 KDM4E (0.40) ATMKDM4EL3MBTL1PDE10APTGER4

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-20200365811-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, ELECTRONIC DEVICE, COMPOSITION, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, AND COMPOSITION FILM IDEMITSU KOSAN CO.,LTD. (JP) 2020-11-19 US disclosed