SCHEMBL16613857

SCHEMBL16613857

c1ccc(-c2cc(-c3ccccc3)cc(-n3ccc4c3ccc3c5ccccc5n(-c5ccccc5)c34)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ATM Q13315 1/20 0.44
KMT2A Q03164 3/20 0.35
IL1R1 P14778 1/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
WNK1 Q9H4A3 1/20 0.33
PGR P06401 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
BRCA1 P38398 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAOB P27338 1/20 0.31
HTR7 P34969 1/20 0.30
HDAC4 P56524 1/20 0.30
MAPK8 P45983 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
SCHEMBL15802412 0.97 L3MBTL1 (0.44) L3MBTL1KDM4EATMKMT2AIL1R1
SCHEMBL15632270 0.96 L3MBTL1 (0.39) L3MBTL1KDM4EATMKMT2AIL1R1
SCHEMBL17015784 0.96 L3MBTL1 (0.42) L3MBTL1KDM4EATMKMT2AIL1R1
SCHEMBL16613798 0.96 L3MBTL1 (0.39) L3MBTL1KDM4EATMKMT2AIL1R1
SCHEMBL16613781 0.96 L3MBTL1 (0.38) L3MBTL1KDM4EATMKMT2AIL1R1
SCHEMBL17016189 0.95 L3MBTL1 (0.45) L3MBTL1KDM4EATMKMT2AIL1R1
SCHEMBL15213676 0.95 L3MBTL1 (0.40) L3MBTL1KDM4EATMKMT2AIL1R1
SCHEMBL17015785 0.94 L3MBTL1 (0.41) L3MBTL1KDM4EATMKMT2AIL1R1
SCHEMBL17015787 0.94 KDM4E (0.39) L3MBTL1KDM4EATMWNK1MAOB
SCHEMBL20427165 0.94 L3MBTL1 (0.42) L3MBTL1KDM4EATMKMT2AIL1R1

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-2015046981-A2 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 2015-04-02 WO disclosed