SCHEMBL21390593

SCHEMBL21390593

C=Cc1ccc2c(c1)c1c(-c3cccc4c3c3ccccc3n4-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)cccc1n2-c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDR P35968 1/20 0.31

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
SCHEMBL21390300 0.96 PDE10A (0.32) GRM1
SCHEMBL21390589 0.93 KDM4E (0.32) GRM1KDM4EATML3MBTL1
SCHEMBL21390590 0.92 KDM4E (0.32) GRM1KDM4EATML3MBTL1
SCHEMBL11998220 0.89 KDM4E (0.41) KDM4EATML3MBTL1KDR
SCHEMBL21390598 0.86 KDM4E (0.38) KDM4EATML3MBTL1KDR
SCHEMBL11998206 0.85 KDM4E (0.38) KDM4EATML3MBTL1KDR
SCHEMBL21390257 0.85 PDE10A (0.38) KDM4EATML3MBTL1
SCHEMBL14405609 0.84 PTGES (0.32) KDM4EATML3MBTL1
SCHEMBL2754622 0.83 L3MBTL1 (0.44) KDM4EATML3MBTL1
SCHEMBL11998210 0.83 KDM4E (0.34) KDM4EATML3MBTL1KDR

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-20190292309-A1 HIGH POLYMER, MIXTURE CONTAINING SAME, COMPOSITION, ORGANIC ELECTRONIC COMPONENT, AND MONOMER FOR POLYMERIZATION GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2019-09-26 US disclosed