SCHEMBL17563731

SCHEMBL17563731

NCCNc1ncnc(NCCC(=O)O)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ CA12 O43570 3/20 0.46
▸ CA1 P00915 3/20 0.46
▸ CA2 P00918 3/20 0.46
▸ CA9 Q16790 3/20 0.46
▸ CA14 Q9ULX7 3/20 0.46
▸ SYK P43405 5/20 0.43
▸ ZAP70 P43403 3/20 0.43
▸ GRIN2D O15399 1/20 0.41
▸ GRIN3B O60391 1/20 0.41
▸ GRIN1 Q05586 1/20 0.41
▸ GRIN2A Q12879 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ GRIN2C Q14957 1/20 0.41
▸ GRIN3A Q8TCU5 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KDM6B O15054 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.37

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
SCHEMBL18757520 0.97 KDM4E (0.51) KDM4EKMT2ACA12CA1CA2
SCHEMBL18466757 0.90 KDM4E (0.52) KDM4EKMT2ACA12CA1CA2
SCHEMBL17563730 0.84 CXCR4 (0.46) CA12CA9CA14SYKZAP70
SCHEMBL17564321 0.81 KDM4E (0.51) KDM4EKMT2ACA12CA1CA2
SCHEMBL17563723 0.81 APEX1 (0.40) KDM4EKMT2ACA12CA1CA2
SCHEMBL17563721 0.81 LMNA (0.42) KDM4EKMT2ACA12CA1CA2
SCHEMBL17564685 0.81 KDM4E (0.59) KDM4EKMT2ACA12CA1CA2
SCHEMBL18466785 0.80 KMT2A (0.50) KDM4EKMT2ACA12CA1CA2
SCHEMBL17564312 0.80 KMT2A (0.50) KDM4EKMT2ACA12CA1CA2
SCHEMBL18466786 0.80 KDM4E (0.58) 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 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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