SCHEMBL21578622

SCHEMBL21578622

c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cccc(-c5cccc6c7ccccc7n(-c7ccc8ccccc8c7)c56)c43)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUSP3 P51452 1/20 0.36
HPGD P15428 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDE10A Q9Y233 1/20 0.35
MAPK10 P53779 6/20 0.35
MAPK9 P45984 5/20 0.35
ALDH1A1 P00352 3/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDE6D O43924 1/20 0.34
GAA P10253 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
MAPK8 P45983 1/20 0.33
TUBB4A P04350 1/20 0.33

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
SCHEMBL22505097 0.94 PDE10A (0.41) DUSP3HPGDKDM4EATML3MBTL1
SCHEMBL22505095 0.92 KDM4E (0.41) DUSP3HPGDKDM4EATML3MBTL1
SCHEMBL23203764 0.91 L3MBTL1 (0.39) HPGDKDM4EATML3MBTL1MAPK10
SCHEMBL21578615 0.91 KDM4E (0.34) DUSP3HPGDKDM4EATML3MBTL1
SCHEMBL12447619 0.89 DUSP3 (0.40) DUSP3HPGDKDM4EATML3MBTL1
SCHEMBL20149456 0.89 DUSP3 (0.43) DUSP3HPGDKDM4EATML3MBTL1
SCHEMBL20149445 0.88 KDM4E (0.49) DUSP3HPGDKDM4EATML3MBTL1
SCHEMBL22505088 0.87 KDM4E (0.38) DUSP3HPGDKDM4EATML3MBTL1
SCHEMBL23233614 0.87 ATM (0.41) HPGDKDM4EATML3MBTL1PDE10A
SCHEMBL21578624 0.87 DUSP3 (0.38) DUSP3KDM4EATML3MBTL1PDE10A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10978642-B2 Mixture, composition and organic electronic device GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2021-04-13 US disclosed
US-20200098992-A1 MIXTURE, COMPOSITION AND ORGANIC ELECTRONIC DEVICE GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2020-03-26 US disclosed
US-20190355911-A1 ORGANIC MIXTURE, ORGANIC COMPOSITION, ORGANIC ELECTRONIC COMPONENT AND PREPARATION METHOD THEREFOR GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2019-11-21 US disclosed