SCHEMBL17178952

SCHEMBL17178952

C1=Cc2c(c3cc(-c4ccc5c(c4)c4ccc(-c6ccccc6)cc4n5-c4ccccc4)ccc3n2-c2cccc(-c3ccccc3)c2)CC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FAAH O00519 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSP90AA1 P07900 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
MGLL Q99685 1/20 0.32
HTR1A P08908 1/20 0.30
HTR7 P34969 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
SCHEMBL16901033 0.96 ATM (0.38) ATMKDM4EL3MBTL1FAAHALDH1A1
SCHEMBL27390259 0.96 ATM (0.38) ATMKDM4EL3MBTL1FAAHALDH1A1
SCHEMBL16900935 0.96 ATM (0.36) ATMKDM4EL3MBTL1FAAHALDH1A1
SCHEMBL17178958 0.96 KDM4E (0.35) ATMKDM4EL3MBTL1
SCHEMBL17012686 0.94 ATM (0.39) ATMKDM4EL3MBTL1FAAHALDH1A1
SCHEMBL26196489 0.93 ATM (0.38) ATMKDM4EL3MBTL1FAAHALDH1A1
SCHEMBL21923270 0.93 ATM (0.38) ATMKDM4EL3MBTL1FAAHALDH1A1
SCHEMBL21923269 0.91 ATM (0.36) ATMKDM4EL3MBTL1FAAHALDH1A1
SCHEMBL21583501 0.90 ATM (0.35) ATMKDM4EL3MBTL1FAAHALDH1A1
SCHEMBL24163254 0.90 KDM4E (0.37) ATMKDM4EL3MBTL1

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-2015156587-A1 MULTI-COMPONENT HOST MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-10-15 WO disclosed