SCHEMBL17577161

SCHEMBL17577161

Clc1nc(NCCNc2nc(Cl)nc(Nc3ccccc3)n2)nc(Nc2ccccc2)n1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.79
MAPT P10636 1/20 0.79
MAPK1 P28482 1/20 0.79
KMT2A Q03164 1/20 0.79
NFKB1 P19838 1/20 0.72
RECQL P46063 1/20 0.67
MCL1 Q07820 1/20 0.67
LMNA P02545 1/20 0.67
NR1I2 O75469 1/20 0.62
AHR P35869 1/20 0.62
KCNH3 Q9ULD8 10/20 0.61
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56

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
SCHEMBL17563710 0.92 MEN1 (0.67) MEN1MAPTMAPK1KMT2ANFKB1
SCHEMBL17563700 0.90 MEN1 (0.69) MEN1MAPTMAPK1KMT2ANFKB1
SCHEMBL6235017 0.90 NR1I2 (0.78) MEN1MAPTMAPK1KMT2ANFKB1
SCHEMBL3500281 0.90 RECQL (0.84) MEN1MAPTMAPK1KMT2ANFKB1
SCHEMBL1923883 0.89 MAPT (1.00) MEN1MAPTMAPK1KMT2ANFKB1
SCHEMBL18067377 0.87 MAPT (0.59) MEN1MAPTMAPK1KMT2ANFKB1
SCHEMBL12421837 0.86 MEN1 (0.73) MEN1MAPTMAPK1KMT2ANFKB1
SCHEMBL113103 0.85 NFKB1 (1.00) MEN1MAPTMAPK1KMT2ANFKB1
SCHEMBL21655135 0.85 NFKB1 (1.00) MEN1MAPTMAPK1KMT2ANFKB1
SCHEMBL3206876 0.83 KCNH3 (0.63) MEN1MAPTMAPK1KMT2ANFKB1

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
WO-2016036847-A9 SYNTHETIC POLYMERS AND METHODS OF MAKING AND USING THE SAME BATTELLE MEMORIAL INSTITUTE (US) 2017-04-20 WO disclosed
US-20170088671-A1 SYNTHETIC POLYMERS AND METHODS OF MAKING AND USING THE SAME BATTELLE MEMORIAL INSTITUTE (US) 2017-03-30 US disclosed
US-9562137-B2 Synthetic polymers and methods of making and using the same BATTELLE MEMORIAL INSTITUTE (US) 2017-02-07 US disclosed
US-9365676-B2 Synthetic polymers and methods of making and using the same BATTELLE MEMORIAL INSTITUTE (US) 2016-06-14 US disclosed
US-20160068635-A1 SYNTHETIC POLYMERS AND METHODS OF MAKING AND USING THE SAME BATTELLE MEMORIAL INSTITUTE 2016-03-10 US disclosed