SCHEMBL16601551

SCHEMBL16601551

NOc1ccc(Nc2ccc(I)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
MAPK1 P28482 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
THRB P10828 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NR4A1 P22736 1/20 0.42
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 2/20 0.40
CA12 O43570 1/20 0.40
APP P05067 4/20 0.39
CCNT1 O60563 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39

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
SCHEMBL1306461 0.80 L3MBTL1 (0.50) MAPTL3MBTL1MAPK1TDP1GAA
SCHEMBL12443124 0.79 ALDH1A1 (0.62) MAPTL3MBTL1MAPK1TDP1GAA
SCHEMBL16601560 0.77 SCN9A (0.49) MAPTL3MBTL1MAPK1TDP1GAA
SCHEMBL16601557 0.77 GAA (0.44) MAPTL3MBTL1MAPK1TDP1GAA
SCHEMBL16601556 0.77 MAPT (0.44) MAPTL3MBTL1MAPK1TDP1GAA
SCHEMBL16601559 0.77 GAA (0.47) MAPTL3MBTL1MAPK1TDP1GAA
SCHEMBL16601554 0.75 ALDH1A1 (0.41) MAPTL3MBTL1MAPK1TDP1GAA
SCHEMBL20879853 0.74 LTA4H (0.50) MAPTL3MBTL1MAPK1TDP1GAA
SCHEMBL16601552 0.72 SCN9A (0.48) MAPTL3MBTL1MAPK1TDP1GAA
SCHEMBL16601558 0.72 KCNH2 (0.48) CA1CA2CA9IDO1ALDH1A1

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
US-8993086-B2 Recordable optical recording medium TAIYO YUDEN CO., LTD. (JP) 2015-03-31 US disclosed