SCHEMBL143247

SCHEMBL143247

O=C1c2ccccc2-n2c1c(Br)c1ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.45
NTRK1 P04629 4/20 0.45
TDO2 P48775 2/20 0.45
IDO2 Q6ZQW0 2/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
ALOX5 P09917 1/20 0.45
MAPT P10636 1/20 0.45
PTGS2 P35354 1/20 0.45
HTT P42858 1/20 0.45
MAPK8 P45983 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
NTRK2 Q16620 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CES1 P23141 5/20 0.37
TTR P02766 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
ALDH1A1 P00352 2/20 0.37

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
SCHEMBL143411 0.81 TDO2 (0.39) IDO1NTRK1TDO2IDO2NPC1
SCHEMBL140840 0.80 TDO2 (0.39) IDO1NTRK1TDO2IDO2NPC1
SCHEMBL143252 0.80 TDO2 (0.39) IDO1NTRK1TDO2IDO2NPC1
SCHEMBL152144 0.80 IDO1 (0.49) IDO1NTRK1TDO2IDO2NPC1
SCHEMBL142571 0.80 NTRK1 (0.45) IDO1NTRK1TDO2IDO2NPC1
SCHEMBL29930277 0.80 NTRK1 (0.49) IDO1NTRK1TDO2IDO2NPC1
SCHEMBL154140 0.80 NTRK1 (0.49) IDO1NTRK1TDO2IDO2NPC1
SCHEMBL144098 0.80 NTRK1 (0.45) IDO1NTRK1TDO2IDO2NPC1
SCHEMBL142563 0.79 NTRK1 (0.48) IDO1NTRK1TDO2IDO2NPC1
SCHEMBL143408 0.77 NTRK1 (0.40) NTRK1LMNAMAPTHTTKMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940909-B2 Indicator platform BIOSYNTH AG (CH) 2015-01-27 US disclosed
US-8940909-B2 Indicator platform BIOSYNTH AG (CH) 2015-01-27 US disclosed
EP-2427431-B1 NOVEL INDICATOR PLATFORM BIOSYNTH AG (CH) 2013-05-01 EP disclosed
US-20120058503-A1 Novel Indicator Platform BIOSYNTH AG (CH) 2012-03-08 US disclosed
US-20120058503-A1 Novel Indicator Platform BIOSYNTH AG (CH) 2012-03-08 US disclosed
WO-2010128120-A1 NOVEL INDICATOR PLATFORM BIOSYNTH AG (CH) 2010-11-11 WO disclosed