SCHEMBL17564309

SCHEMBL17564309

NCCNc1nc(NCCNc2nc(N)nc(SCCC(=O)O)n2)nc(SCCC(=O)O)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HTT P42858 1/20 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 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ APEX1 P27695 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ RXRA P19793 1/20 0.31
▸ PPARD Q03181 1/20 0.31
▸ PPARA Q07869 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ PRNP P04156 1/20 0.30
▸ MAPK10 P53779 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
SCHEMBL18466735 1.00 KDM4E (0.38) KDM4EKMT2AHTTCA12CA1
SCHEMBL17577112 1.00 KDM4E (0.38) KDM4EKMT2AHTTCA12CA1
SCHEMBL17563722 0.97 KDM4E (0.40) KDM4EKMT2AHTTCA12CA1
SCHEMBL18679867 0.86 KDM4E (0.43) KDM4EKMT2AHTTCA12CA1
SCHEMBL17564313 0.85 SMN1; SMN2 (0.36) KDM4EKMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL18757519 0.85 KDM4E (0.42) KDM4EKMT2AHTTCA12CA1
SCHEMBL17564316 0.84 KDM4E (0.39) KDM4EKMT2AHTTCA12CA1
SCHEMBL18466785 0.83 KMT2A (0.50) KDM4EKMT2ACA12CA1CA2
SCHEMBL17564312 0.83 KMT2A (0.50) KDM4EKMT2ACA12CA1CA2
SCHEMBL17577083 0.83 KMT2A (0.50) KDM4EKMT2ACA12CA1CA2

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
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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