SCHEMBL142571

SCHEMBL142571

O=C1c2ccccc2-n2c1c(I)c1ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.45
IDO1 P14902 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
TDO2 P48775 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
NTRK2 Q16620 1/20 0.45
IDO2 Q6ZQW0 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ALDH1A1 P00352 3/20 0.40
CES1 P23141 8/20 0.40
BCHE P06276 4/20 0.40
TGM2 P21980 1/20 0.40
TTR P02766 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
SCHEMBL144098 0.80 NTRK1 (0.45) NTRK1IDO1NPC1LMNAALOX5
SCHEMBL152144 0.80 IDO1 (0.49) NTRK1IDO1NPC1LMNAALOX5
SCHEMBL29930277 0.80 NTRK1 (0.49) NTRK1IDO1NPC1LMNAALOX5
SCHEMBL154140 0.80 NTRK1 (0.49) NTRK1IDO1NPC1LMNAALOX5
SCHEMBL143247 0.80 IDO1 (0.45) NTRK1IDO1NPC1LMNAALOX5
SCHEMBL142563 0.79 NTRK1 (0.48) NTRK1IDO1NPC1LMNAALOX5
SCHEMBL154801 0.76 LMNA (0.43) NTRK1IDO1NPC1LMNAALOX5
SCHEMBL144092 0.72 IDO1 (0.51) NTRK1IDO1NPC1LMNAALOX5
SCHEMBL23729288 0.72 ALDH1A1 (0.44) NTRK1IDO1NPC1LMNAALOX5
SCHEMBL622966 0.69 ALDH1A1 (0.53) NTRK1IDO1NPC1LMNAALOX5

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