SCHEMBL16613250

SCHEMBL16613250

c1ccc(-n2ccc3c2ccc2c4ccccc4n(-c4nc(-c5ccccn5)c5cscc5n4)c23)cc1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 6/20 0.37
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
PPP1CA P62136 1/20 0.30
HIF1A Q16665 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL16613640 0.88 MCL1 (0.39) MCL1MAPTRAB9APPP1CAHIF1A
SCHEMBL16613237 0.88 ALDH1A1 (0.35) MAPTL3MBTL1
SCHEMBL16613264 0.87 MCL1 (0.38) MCL1L3MBTL1
SCHEMBL16613249 0.86 ALDH1A1 (0.34) MAPTL3MBTL1
SCHEMBL16613726 0.85 ADORA1 (0.41) MCL1
SCHEMBL16613244 0.85 KDM4E (0.32) L3MBTL1
SCHEMBL16613762 0.84 MCL1 (0.39) MCL1MAPTPPP1CA
SCHEMBL16613458 0.84 MCL1 (0.35) MCL1
SCHEMBL15596406 0.84 MAPT (0.37) MCL1MAPTRAB9APPP1CAHIF1A
SCHEMBL16613231 0.84

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