SCHEMBL17826463

SCHEMBL17826463

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.46
▸ HTT P42858 1/20 0.37
▸ ABCB1 P08183 1/20 0.35
▸ GAA P10253 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MEN1 O00255 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ USP28 Q96RU2 1/20 0.31
▸ STK17A Q9UEE5 1/20 0.30

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
SCHEMBL18466738 1.00 HSP90AA1 (0.46) HSP90AA1HTTABCB1GAASMN1; SMN2
SCHEMBL18466902 0.98 HSP90AA1 (0.49) HSP90AA1HTTABCB1GAASMN1; SMN2
SCHEMBL17577105 0.98 HSP90AA1 (0.49) HSP90AA1HTTABCB1GAASMN1; SMN2
SCHEMBL18466734 0.95 HSP90AA1 (0.51) HSP90AA1HTTABCB1GAASMN1; SMN2
SCHEMBL17826505 0.93 HSP90AA1 (0.55) HSP90AA1HTTABCB1GAASMN1; SMN2
SCHEMBL18466767 0.89 HTT (0.49) HSP90AA1HTTGAASMN1; SMN2ALDH1A1
SCHEMBL17826478 0.89 HTT (0.49) HSP90AA1HTTGAASMN1; SMN2ALDH1A1
SCHEMBL17576144 0.88 HSP90AA1 (0.40) HSP90AA1HTTABCB1GAASMN1; SMN2
SCHEMBL18680425 0.87 HTT (0.37) HSP90AA1HTTABCB1GAASMN1; SMN2
SCHEMBL18679951 0.87 HSP90AA1 (0.46) HSP90AA1HTTABCB1GAASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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