SCHEMBL17563604

SCHEMBL17563604

CCSc1nc(NC)nc(NCCNc2nc(NCCNc3nc(NCCNc4nc(NCCNc5nc(NCCNc6nc(NC)nc(SCC)n6)nc(SCC)n5)nc(SCC)n4)nc(SCC)n3)nc(SCC)n2)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.42
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ ABCB1 P08183 2/20 0.36
▸ LMNA P02545 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ PDE4A P27815 1/20 0.33

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
SCHEMBL18680442 0.95 CYP1A2 (0.41) HTTCA1CA2CA9HSP90AA1
SCHEMBL18680425 0.92 HTT (0.37) HTTCA1CA2CA9HSP90AA1
SCHEMBL18679943 0.92 HSP90AA1 (0.46) HTTCA1CA2CA9HSP90AA1
SCHEMBL17826471 0.90 HTT (0.46) HTTHSP90AA1ABCB1LMNAALDH1A1
SCHEMBL17576150 0.90 HSP90AA1 (0.42) HTTHSP90AA1ABCB1LMNAALDH1A1
SCHEMBL18466906 0.90 HTT (0.38) HTTCA1CA2CA9HSP90AA1
SCHEMBL8075579 0.87 KMT2A (0.48) HTTMAPT
SCHEMBL10917845 0.86 HSP90AA1 (0.42) HTTHSP90AA1ABCB1LMNAMAPT
SCHEMBL18466949 0.85 CYP1A2 (0.44) HTTCA1CA2CA9HSP90AA1
SCHEMBL18466763 0.85 HTT (0.42) HTTHSP90AA1LMNAALDH1A1GAA

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 7 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-20160257785-A1 SYNTHETIC POLYMERS AND METHODS OF MAKING AND USING THE SAME U.S. DEPARTMENT OF ENERGY 2016-09-08 — — 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
WO-2016036847-A1 SYNTHETIC POLYMERS AND METHODS OF MAKING AND USING THE SAME BATTELLE MEMORIAL INSTITUTE (US) 2016-03-10 — — WO disclosed
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