SCHEMBL17826471

SCHEMBL17826471

CCSc1nc(NCCNc2nc(NCCNc3nc(NCCNc4nc(SCC)nc(SCC)n4)nc(SCC)n3)nc(NCCNc3nc(NCCNc4nc(SCC)nc(SCC)n4)nc(SCC)n3)n2)nc(NCCNc2nc(SCC)nc(SCC)n2)n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.39
▸ LMNA P02545 3/20 0.37
▸ GAA P10253 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ ABCB1 P08183 1/20 0.35
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ KCNH3 Q9ULD8 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
SCHEMBL18466763 0.94 HTT (0.42) HTTHSP90AA1LMNAGAASMN1; SMN2
SCHEMBL18466949 0.94 CYP1A2 (0.44) HTTHSP90AA1LMNAGAASMN1; SMN2
SCHEMBL17563604 0.90 HTT (0.42) HTTHSP90AA1LMNAGAASMN1; SMN2
SCHEMBL18680200 0.89 CYP1A2 (0.43) HTTHSP90AA1LMNAGAASMN1; SMN2
SCHEMBL18062207 0.87 HSP90AA1 (0.55) HTTHSP90AA1LMNAGAASMN1; SMN2
SCHEMBL17577152 0.86 HTT (0.37) HTTHSP90AA1LMNAGAASMN1; SMN2
SCHEMBL17576144 0.86 HSP90AA1 (0.40) HTTHSP90AA1LMNAGAASMN1; SMN2
SCHEMBL18680442 0.85 CYP1A2 (0.41) HTTHSP90AA1LMNAGAASMN1; SMN2
SCHEMBL17576140 0.85 HTT (0.40) HTTHSP90AA1LMNAGAASMN1; SMN2
SCHEMBL17563719 0.84 HTT (0.56) HTTHSP90AA1LMNAGAASMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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