SCHEMBL144098

SCHEMBL144098

O=C1c2ccccc2-n2c1c(Cl)c1ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.45
IDO1 P14902 4/20 0.45
TDO2 P48775 2/20 0.45
IDO2 Q6ZQW0 2/20 0.45
NPC1 O15118 2/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
RAB9A P51151 2/20 0.45
ALOX5 P09917 1/20 0.45
PTGS2 P35354 1/20 0.45
HTT P42858 1/20 0.45
MAPK8 P45983 1/20 0.45
KMT2A Q03164 1/20 0.45
NTRK2 Q16620 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CES1 P23141 6/20 0.41
MAPK14 Q16539 2/20 0.38
DUSP3 P51452 1/20 0.38
TTR P02766 1/20 0.37
APAF1 O14727 1/20 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
SCHEMBL29930277 0.80 NTRK1 (0.49) NTRK1IDO1TDO2IDO2NPC1
SCHEMBL154140 0.80 NTRK1 (0.49) NTRK1IDO1TDO2IDO2NPC1
SCHEMBL152144 0.80 IDO1 (0.49) NTRK1IDO1TDO2IDO2NPC1
SCHEMBL142571 0.80 NTRK1 (0.45) NTRK1IDO1TDO2IDO2NPC1
SCHEMBL143247 0.80 IDO1 (0.45) NTRK1IDO1TDO2IDO2NPC1
SCHEMBL142563 0.79 NTRK1 (0.48) NTRK1IDO1TDO2IDO2NPC1
SCHEMBL154801 0.76 LMNA (0.43) NTRK1IDO1TDO2IDO2NPC1
SCHEMBL144092 0.75 IDO1 (0.51) NTRK1IDO1TDO2IDO2NPC1
SCHEMBL3408954 0.70 IDO1 (0.55) NTRK1IDO1TDO2IDO2NPC1
SCHEMBL152432 0.70 IDO1 (0.55) NTRK1IDO1TDO2IDO2LMNA

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 5 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
WO-2010128120-A1 NOVEL INDICATOR PLATFORM BIOSYNTH AG (CH) 2010-11-11 WO disclosed