SCHEMBL156257

SCHEMBL156257

O=C(c1ccco1)c1ccccc1I

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
KMT2A Q03164 6/20 0.58
MEN1 O00255 3/20 0.58
TDP1 Q9NUW8 2/20 0.58
POLB P06746 1/20 0.58
THRB P10828 1/20 0.58
APEX1 P27695 1/20 0.58
RECQL P46063 1/20 0.58
PIM1 P11309 1/20 0.55
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
RAB9A P51151 3/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
PTPN1 P18031 1/20 0.46
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPK1 P28482 1/20 0.45

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
SCHEMBL3857975 0.79 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1TDP1POLB
SCHEMBL11311905 0.78 KMT2A (0.60) ALDH1A1KMT2AMEN1TDP1POLB
SCHEMBL6340252 0.78 KMT2A (0.61) ALDH1A1KMT2AMEN1TDP1POLB
SCHEMBL27553288 0.78 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1TDP1POLB
SCHEMBL181841 0.77 ALDH1A1 (0.74) ALDH1A1KMT2AMEN1TDP1POLB
SCHEMBL1298701 0.77 MEN1 (0.54) ALDH1A1KMT2AMEN1TDP1CES2
SCHEMBL3953437 0.76 ALDH1A1 (0.73) ALDH1A1KMT2AMEN1TDP1POLB
SCHEMBL7122993 0.76 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1TDP1POLB
SCHEMBL3839465 0.75 KMT2A (0.52) ALDH1A1KMT2AMEN1TDP1MAPT
SCHEMBL7606520 0.75 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1TDP1POLB

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
EP-2427431-B1 NOVEL INDICATOR PLATFORM BIOSYNTH AG (CH) 2013-05-01 EP disclosed
EP-2427431-A1 NOVEL INDICATOR PLATFORM Biosynth AG (CH) 2012-03-14 EP disclosed
US-20120058503-A1 Novel Indicator Platform BIOSYNTH AG (CH) 2012-03-08 US disclosed
EP-2256103-A1 Novel indicator platform Biosynth AG (CH) 2010-12-01 EP disclosed
WO-2010128120-A1 NOVEL INDICATOR PLATFORM BIOSYNTH AG (CH) 2010-11-11 WO disclosed