SCHEMBL16601556

SCHEMBL16601556

NOc1ccc(Nc2ccc(Br)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
GAA P10253 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 1/20 0.44
THRB P10828 1/20 0.44
RECQL P46063 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NR4A1 P22736 1/20 0.42
TTBK1 Q5TCY1 1/20 0.41
TTBK2 Q6IQ55 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CA2 P00918 4/20 0.40
CA1 P00915 3/20 0.40
CA9 Q16790 3/20 0.40
CA12 O43570 1/20 0.40

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
SCHEMBL5759903 0.85
Hydrochloric Acid SCHEMBL1715815 0.83 MAPT (0.50) MAPTRAB9AMAPK1KDM4ENPSR1
SCHEMBL16526973 0.80 CYP2A6 (0.57) MAPTNPC1RAB9AL3MBTL1MAPK1
SCHEMBL13148721 0.80 CYP2A6 (0.57) MAPTNPC1RAB9AL3MBTL1MAPK1
SCHEMBL409605 0.80 CYP2A6 (0.57) MAPTNPC1RAB9AL3MBTL1MAPK1
SCHEMBL12443124 0.79 ALDH1A1 (0.62) MAPTNPC1RAB9AGAAL3MBTL1
SCHEMBL14140380 0.78 MAPK1 (0.48) MAPTNPC1RAB9AMAPK1NPSR1
SCHEMBL13138734 0.77 MAPT (0.77) MAPTNPC1RAB9AGAAL3MBTL1
SCHEMBL16601551 0.77 MAPT (0.44) MAPTNPC1RAB9AGAAL3MBTL1
SCHEMBL16601560 0.77 SCN9A (0.49) MAPTNPC1RAB9AGAAL3MBTL1

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