SCHEMBL31656

SCHEMBL31656

CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ RORC P51449 1/20 0.33
▸ PGR P06401 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
SCHEMBL31831 0.95 KDM4E (0.32) KDM4EATML3MBTL1RORC
SCHEMBL31855 0.95 KDM4E (0.32) KDM4EATML3MBTL1RORC
SCHEMBL31671 0.95 KDM4E (0.32) KDM4EATML3MBTL1RORC
SCHEMBL15582890 0.91 PGR (0.31) PGR
SCHEMBL17245801 0.91 KDM4E (0.41) KDM4EATML3MBTL1RORCPGR
SCHEMBL15837622 0.90 PGR (0.31) KDM4EATML3MBTL1PGR
SCHEMBL15582895 0.90 PGR (0.31) PGR
SCHEMBL15752377 0.90 — —
SCHEMBL10014079 0.89 PGR (0.33) KDM4EATML3MBTL1PGR
SCHEMBL10014072 0.88 KDM4E (0.45) KDM4EATML3MBTL1RORCPGR

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-2012026780-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2012-03-01 — — WO disclosed
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