SCHEMBL18679867

SCHEMBL18679867

Cc1nc(NCCNc2nc(NCCNc3nc(NCCN)nc(SCCC(=O)O)n3)nc(SCCC(=O)O)n2)nc(SCCC(=O)O)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ PRNP P04156 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ RXRA P19793 1/20 0.35
▸ PPARD Q03181 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ CSNK2A2 P19784 2/20 0.33
▸ CSNK2B P67870 2/20 0.33

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
SCHEMBL18466736 0.97 KDM4E (0.46) KDM4EKMT2APRNPTSHRMAPK10
SCHEMBL18757519 0.87 KDM4E (0.42) KDM4EKMT2AHTTSMN1; SMN2RXRA
SCHEMBL18466735 0.86 KDM4E (0.38) KDM4EKMT2APRNPMAPK10NPSR1
SCHEMBL17564309 0.86 KDM4E (0.38) KDM4EKMT2APRNPMAPK10NPSR1
SCHEMBL17577112 0.86 KDM4E (0.38) KDM4EKMT2APRNPMAPK10NPSR1
SCHEMBL17826475 0.83 KDM4E (0.57) KDM4EKMT2ATSHRNPSR1RXFP1
SCHEMBL18680197 0.83 KDM4E (0.57) KDM4EKMT2ATSHRNPSR1RXFP1
SCHEMBL17826467 0.83 KDM4E (0.57) KDM4EKMT2ATSHRNPSR1RXFP1
SCHEMBL18679859 0.83 KDM4E (0.57) KDM4EKMT2ATSHRNPSR1RXFP1
SCHEMBL17563722 0.83 KDM4E (0.40) KDM4EKMT2APRNPMAPK10NPSR1

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-20170088671-A1 SYNTHETIC POLYMERS AND METHODS OF MAKING AND USING THE SAME BATTELLE MEMORIAL INSTITUTE (US) 2017-03-30 — — US disclosed
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