SCHEMBL16613638

SCHEMBL16613638

CC1(C)c2ccccc2-c2cccc(-c3nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)nc4c3ccn4-c3ccccc3)c21

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
RXFP1 Q9HBX9 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
SCHEMBL16613274 0.92 PGR (0.32) KDM4EATML3MBTL1
SCHEMBL16613695 0.85 KDM4E (0.36) PTGER4KDM4EATML3MBTL1RXFP1
SCHEMBL16613583 0.85 KDM4E (0.36) PTGER4KDM4EATML3MBTL1RXFP1
SCHEMBL16613236 0.85 DUSP3 (0.31)
SCHEMBL16613517 0.85
SCHEMBL16613585 0.84 KDM4E (0.37) PTGER4KDM4EATML3MBTL1RXFP1
SCHEMBL16613508 0.84 KDM4E (0.35) PTGER4KDM4EATML3MBTL1
SCHEMBL16613677 0.83 PTGER4 (0.32) PTGER4KDM4EATML3MBTL1
SCHEMBL16613660 0.83 PTGER4 (0.32) PTGER4KDM4EATML3MBTL1
SCHEMBL16613518 0.82 KDM4E (0.40) PTGER4KDM4EATML3MBTL1RXFP1

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