SCHEMBL143252

SCHEMBL143252

O=C1c2cc(F)c(F)cc2-n2c1c(Br)c1ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 4/20 0.39
IDO2 Q6ZQW0 4/20 0.39
IDO1 P14902 3/20 0.39
HSP90AA1 P07900 3/20 0.36
APAF1 O14727 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
MITF O75030 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
NTRK1 P04629 3/20 0.33
ALDH3A1 P30838 2/20 0.32
RXFP1 Q9HBX9 1/20 0.31
NMUR2 Q9GZQ4 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GLA P06280 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALDH2 P05091 1/20 0.31

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 0.87 TDO2 (0.39) TDO2IDO2IDO1HSP90AA1APAF1
SCHEMBL140840 0.83 TDO2 (0.39) TDO2IDO2IDO1HSP90AA1APAF1
SCHEMBL143247 0.80 IDO1 (0.45) TDO2IDO2IDO1NPC1RAB9A
SCHEMBL143408 0.80 NTRK1 (0.40) MEN1KMT2ANTRK1GSK3B
SCHEMBL143891 0.70 DNMT1 (0.38) TDO2IDO2IDO1MEN1NPC1
SCHEMBL9103165 0.68 IDO1 (0.74) TDO2IDO2IDO1HSP90AA1APAF1
SCHEMBL142587 0.66 KMT2A (0.40) MEN1RAB9AKMT2ANTRK1L3MBTL1
SCHEMBL152432 0.62 IDO1 (0.55) TDO2IDO2IDO1APAF1MEN1
SCHEMBL3408954 0.62 IDO1 (0.55) TDO2IDO2IDO1HSP90AA1APAF1
SCHEMBL22771502 0.62 ALDH1A1 (0.43) MEN1KMT2AL3MBTL1ALDH1A1ATM

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