SCHEMBL18680425

SCHEMBL18680425

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.37
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ ABCB1 P08183 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ CDK1 P06493 3/20 0.31
▸ PRKCA P17252 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
SCHEMBL18466906 0.98 HTT (0.38) HTTCA1CA2CA9HSP90AA1
SCHEMBL17563604 0.92 HTT (0.42) HTTCA1CA2CA9HSP90AA1
SCHEMBL17826478 0.89 HTT (0.49) HTTCA1CA2CA9HSP90AA1
SCHEMBL18466767 0.89 HTT (0.49) HTTCA1CA2CA9HSP90AA1
SCHEMBL17576144 0.88 HSP90AA1 (0.40) HTTHSP90AA1ABCB1ALDH1A1LMNA
SCHEMBL17826463 0.87 HSP90AA1 (0.46) HTTHSP90AA1ABCB1ALDH1A1LMNA
SCHEMBL18679951 0.87 HSP90AA1 (0.46) HTTCA1CA2CA9HSP90AA1
SCHEMBL18466738 0.87 HSP90AA1 (0.46) HTTHSP90AA1ABCB1ALDH1A1LMNA
SCHEMBL18466796 0.87 CXCL12 (0.41) HTTCA1CA2CA9ALDH1A1
SCHEMBL18680442 0.87 CYP1A2 (0.41) HTTCA1CA2CA9HSP90AA1

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 1 patent. 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
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