SCHEMBL21583501

SCHEMBL21583501

C1=Cc2c(c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5ccccc5)c4)ccc3n2-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)CC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSPO P30536 1/20 0.32
FAAH O00519 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSP90AA1 P07900 1/20 0.31
PKM P14618 1/20 0.31
HTT P42858 1/20 0.31
MGLL Q99685 1/20 0.31

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
SCHEMBL16901059 0.97 L3MBTL1 (0.39) ATMKDM4EL3MBTL1TSPOALDH1A1
SCHEMBL26239028 0.97 L3MBTL1 (0.39) ATMKDM4EL3MBTL1TSPOALDH1A1
SCHEMBL26196489 0.97 ATM (0.38) ATMKDM4EL3MBTL1TSPOFAAH
SCHEMBL21923269 0.95 ATM (0.36) ATMKDM4EL3MBTL1TSPOFAAH
SCHEMBL17012686 0.95 ATM (0.39) ATMKDM4EL3MBTL1TSPOFAAH
SCHEMBL21923270 0.94 ATM (0.38) ATMKDM4EL3MBTL1TSPOFAAH
SCHEMBL26156841 0.94 L3MBTL1 (0.40) ATMKDM4EL3MBTL1TSPOALDH1A1
SCHEMBL29343543 0.93 L3MBTL1 (0.42) ATMKDM4EL3MBTL1TSPOALDH1A1
SCHEMBL16900935 0.93 ATM (0.36) ATMKDM4EL3MBTL1TSPOFAAH
SCHEMBL19636965 0.92 ATM (0.38) ATMKDM4EL3MBTL1FAAHALDH1A1

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-3575296-A1 TRIAZINE COMPOUND, COMPOSITION AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE Samsung SDI Co., Ltd. (KR) 2019-12-04 EP disclosed