SCHEMBL9575550

SCHEMBL9575550

CC(=O)Nc1nc(Cl)c2ncn(COC(COC(C)C)COC(C)C)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.42
PDE3A Q14432 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
NFKB1 P19838 1/20 0.38
BLM P54132 1/20 0.38
VCP P55072 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
HDAC1 Q13547 4/20 0.36
HDAC6 Q9UBN7 4/20 0.36
HDAC4 P56524 2/20 0.36
FGFR1 P11362 2/20 0.35
FGFR4 P22455 2/20 0.35
HDAC2 Q92769 2/20 0.35
HSP90AA1 P07900 1/20 0.35

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
SCHEMBL10405793 0.90 ACHE (0.44) ACHEPDE3AMEN1KMT2ATSHR
SCHEMBL9575530 0.89 ACHE (0.43) ACHEMEN1KMT2ATSHRHDAC1
SCHEMBL10364108 0.86 ACHE (0.40) ACHEPDE3AMEN1KMT2ATSHR
SCHEMBL9575560 0.86 ACHE (0.40) ACHEPDE3AMEN1KMT2ATSHR
SCHEMBL9575342 0.86 ACHE (0.43) ACHEMEN1KMT2ATSHRHDAC1
SCHEMBL9575539 0.85 MEN1 (0.48) ACHEMEN1KMT2ATSHRBLM
SCHEMBL9021299 0.83 ACHE (0.42) ACHE
SCHEMBL9575559 0.81 ALDH1A1 (0.41) PDE3AMEN1KMT2ATSHRALDH1A1
SCHEMBL9575536 0.80 ACHE (0.43) ACHEMEN1KMT2ATSHRHDAC1
SCHEMBL8711549 0.79 ACHE (0.40) ACHEMEN1KMT2ATSHRHDAC1

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
US-5225550-A PROCESS FOR THE PREPARATION OF SUBSTITUTED ACYCLIC NUCLEOSIDES, AND INTERMEDIATES OCCURRING THEREIN HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-06 US disclosed
EP-0464511-A2 Process for the preparation of acyclic, substituted nucleosides and its intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1992-01-08 EP disclosed