SCHEMBL16613758

SCHEMBL16613758

CC1(C)C=Cc2c(-c3cccc4c5ccccc5n(-c5ccccc5)c34)nc(-n3c4ccccc4c4c5ccccc5ccc43)nc21

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL16613438 0.92 KDM4E (0.36) HTTKDM4EATML3MBTL1
SCHEMBL16613667 0.90
SCHEMBL16613755 0.88
SCHEMBL16613772 0.87 KDM4E (0.30) KDM4E
SCHEMBL16613676 0.86 PTGER4 (0.34) KDM4EATML3MBTL1
SCHEMBL16613771 0.85 HTT (0.30) HTTSMN1; SMN2
SCHEMBL16613773 0.84 ENPP3 (0.31)
SCHEMBL16613615 0.84
SCHEMBL16613503 0.83 TUBB4A (0.35) SMN1; SMN2
SCHEMBL16613765 0.83

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-2015047058-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-04-02 WO disclosed