SCHEMBL16451807

SCHEMBL16451807

c1ccc(-c2cc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)nc(-n3c4ccccc4c4ccccc43)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ATM Q13315 1/20 0.41
KMT2A Q03164 2/20 0.32
IL1R1 P14778 1/20 0.32
MAPT P10636 3/20 0.31
MAPK1 P28482 3/20 0.31
ALDH1A1 P00352 2/20 0.31
HTT P42858 2/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
JAK2 O60674 1/20 0.31
JAK3 P52333 1/20 0.31
ACHE P22303 1/20 0.30
PIK3CA P42336 1/20 0.30
HPGD P15428 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL21017500 0.96 L3MBTL1 (0.39) L3MBTL1KDM4EATMKMT2AIL1R1
SCHEMBL17248252 0.95 L3MBTL1 (0.38) L3MBTL1KDM4EATMKMT2AIL1R1
SCHEMBL24164202 0.94 KDM4E (0.38) L3MBTL1KDM4EATMRXFP1JAK2
SCHEMBL16451924 0.91 MAPT (0.32) L3MBTL1KDM4EATMKMT2AMAPT
SCHEMBL17248263 0.91 L3MBTL1 (0.45) L3MBTL1KDM4EATMKMT2AIL1R1
SCHEMBL12131957 0.91 L3MBTL1 (0.45) L3MBTL1KDM4EATMKMT2AIL1R1
SCHEMBL12131958 0.91 L3MBTL1 (0.41) L3MBTL1KDM4EATMKMT2AIL1R1
SCHEMBL17248260 0.90 KDM4E (0.42) L3MBTL1KDM4EATMKMT2AIL1R1
SCHEMBL17248253 0.90 L3MBTL1 (0.41) L3MBTL1KDM4EATMKMT2AMAPT
SCHEMBL17248248 0.89 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9985219-B2 Organic electroluminescent element NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2018-05-29 US disclosed
US-9985219-B2 Organic electroluminescent element NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2018-05-29 US disclosed
US-20150041785-A1 ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2015-02-12 US disclosed
US-20150041785-A1 ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2015-02-12 US disclosed