SCHEMBL9019788

SCHEMBL9019788

CC(=O)Nc1ncc2c(ncn2COC(COC2CCCC2)COC2CCCC2)n1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 15/20 0.37
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
HTR1F P30939 1/20 0.34
NPR3 P17342 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL9019807 0.85 PDE3A (0.32) LMNAHTTMEN1ALDH1A1MAPT
SCHEMBL9019826 0.85 ALDH1A1 (0.37) LMNAKDM4EMEN1ALDH1A1MAPT
SCHEMBL9845278 0.84 SYK (0.31) MEN1KMT2A
SCHEMBL9019796 0.83 CYP3A4 (0.41) LMNAMEN1ALDH1A1KMT2A
SCHEMBL9022568 0.83 ACHE (0.41) ACACBLMNAHTTNPSR1TDP1
SCHEMBL9019764 0.80 PDE3A (0.38) LMNAMEN1ALDH1A1KMT2A
SCHEMBL9019800 0.75 BCHE (0.38) MEN1KMT2A
SCHEMBL9019831 0.75 BCHE (0.38) LMNAMEN1ALDH1A1MAPTKMT2A
SCHEMBL9845272 0.74 CYP3A4 (0.35) LMNAMEN1MAPTKMT2A
SCHEMBL9845279 0.74 MEN1 (0.39) HTTMEN1KMT2A

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
EP-0452680-B1 Substituted purines, process for their preparation and their use as antiviral agents HOECHST AG (DE) 1996-11-06 EP disclosed
EP-0452680-A1 Substituted purines, process for their preparation and their use as antiviral agents HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-23 EP disclosed