SCHEMBL17564316

SCHEMBL17564316

NCCNc1nc(NCCNc2ncnc(SCCC(=O)O)n2)nc(SCCC(=O)O)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ APEX1 P27695 1/20 0.37
▸ SYK P43405 3/20 0.35
▸ ZAP70 P43403 2/20 0.35
▸ CA12 O43570 3/20 0.34
▸ CA1 P00915 3/20 0.34
▸ CA2 P00918 3/20 0.34
▸ CA9 Q16790 3/20 0.34
▸ CA14 Q9ULX7 3/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ CSNK2A2 P19784 2/20 0.32
▸ CSNK2B P67870 2/20 0.32
▸ CSNK2A1 P68400 2/20 0.32
▸ RXRA P19793 1/20 0.32
▸ PPARD Q03181 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ SLC6A5 Q9Y345 1/20 0.32

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
SCHEMBL17563723 0.95 APEX1 (0.40) KDM4EKMT2AAPEX1SYKZAP70
SCHEMBL17564309 0.84 KDM4E (0.38) KDM4EKMT2AAPEX1SYKZAP70
SCHEMBL18466735 0.84 KDM4E (0.38) KDM4EKMT2AAPEX1SYKZAP70
SCHEMBL17577112 0.84 KDM4E (0.38) KDM4EKMT2AAPEX1SYKZAP70
SCHEMBL18757520 0.83 KDM4E (0.51) KDM4EKMT2ASYKZAP70CA12
SCHEMBL18679867 0.82 KDM4E (0.43) KDM4EKMT2AAPEX1CA12CA1
SCHEMBL18757519 0.82 KDM4E (0.42) KDM4EKMT2AAPEX1CA12CA1
SCHEMBL17563722 0.81 KDM4E (0.40) KDM4EKMT2AAPEX1SYKZAP70
SCHEMBL17563731 0.80 KDM4E (0.50) KDM4EKMT2ASYKZAP70CA12
SCHEMBL18466736 0.80 KDM4E (0.46) KDM4EKMT2AAPEX1SYKSMN1; 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 2 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
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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