SCHEMBL17564321

SCHEMBL17564321

NCCNc1nc(N)nc(NCCC(=O)O)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ CA1 P00915 4/20 0.47
▸ CA2 P00918 4/20 0.47
▸ CA9 Q16790 4/20 0.47
▸ CA12 O43570 3/20 0.47
▸ CA14 Q9ULX7 3/20 0.47
▸ GRIN2D O15399 1/20 0.42
▸ GRIN3B O60391 1/20 0.42
▸ GRIN1 Q05586 1/20 0.42
▸ GRIN2A Q12879 1/20 0.42
▸ GRIN2B Q13224 1/20 0.42
▸ GRIN2C Q14957 1/20 0.42
▸ GRIN3A Q8TCU5 1/20 0.42
▸ KDM6B O15054 9/20 0.40
▸ HDAC1 Q13547 1/20 0.38
▸ CRHBP P24387 2/20 0.37
▸ CRHR2 Q13324 2/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ ALDH1A1 P00352 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
SCHEMBL17577083 0.98 KMT2A (0.50) KDM4EKMT2ACA1CA2CA9
SCHEMBL18466785 0.98 KMT2A (0.50) KDM4EKMT2ACA1CA2CA9
SCHEMBL17564312 0.98 KMT2A (0.50) KDM4EKMT2ACA1CA2CA9
SCHEMBL17826466 0.91 KDM4E (0.48) KDM4EKMT2ACA1CA2CA9
SCHEMBL27780714 0.89 KDM4E (0.58) KDM4EKMT2ACA1CA2CA9
SCHEMBL18467399 0.87 KDM4E (0.41) KDM4EKMT2ACA1CA2CA9
SCHEMBL18466786 0.85 KDM4E (0.58) KDM4EKMT2ACA1CA2CA9
SCHEMBL17826475 0.83 KDM4E (0.57) KDM4EKMT2ACA1CA2CA9
SCHEMBL18680197 0.83 KDM4E (0.57) KDM4EKMT2ACA1CA2CA9
SCHEMBL17826467 0.83 KDM4E (0.57) KDM4EKMT2ACA1CA2CA9

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 3 patents. 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
US-9562137-B2 Synthetic polymers and methods of making and using the same BATTELLE MEMORIAL INSTITUTE (US) 2017-02-07 — — US 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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