SCHEMBL16901033

SCHEMBL16901033

C1=Cc2c(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3n2-c2cccc(-c3ccccc3)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSPO P30536 1/20 0.32
FAAH O00519 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSP90AA1 P07900 1/20 0.30
PKM P14618 1/20 0.30
HTT P42858 1/20 0.30
MGLL Q99685 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
SCHEMBL27390259 0.96 ATM (0.38) ATMKDM4EL3MBTL1FAAHALDH1A1
SCHEMBL17178952 0.96 ATM (0.33) ATMKDM4EL3MBTL1FAAHALDH1A1
SCHEMBL16900935 0.96 ATM (0.36) ATMKDM4EL3MBTL1TSPOFAAH
SCHEMBL27341881 0.95 KDM4E (0.37) ATMKDM4EL3MBTL1TSPO
SCHEMBL24163254 0.95 KDM4E (0.37) ATMKDM4EL3MBTL1TSPO
SCHEMBL17012686 0.94 ATM (0.39) ATMKDM4EL3MBTL1TSPOFAAH
SCHEMBL12018515 0.94 KDM4E (0.36) ATMKDM4EL3MBTL1TSPO
SCHEMBL12018566 0.94 KDM4E (0.36) ATMKDM4EL3MBTL1TSPO
SCHEMBL14328171 0.94 ATM (0.38) ATMKDM4EL3MBTL1FAAHALDH1A1
SCHEMBL26196489 0.94 ATM (0.38) ATMKDM4EL3MBTL1TSPOFAAH

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
EP-2894157-A1 Condensed cyclic compound and organic light-emitting device including the same Samsung Electronics Co., Ltd (KR) 2015-07-15 EP disclosed