SCHEMBL9575560

SCHEMBL9575560

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TSHR P16473 1/20 0.38
FGFR1 P11362 2/20 0.33
FGFR4 P22455 2/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
HDAC6 Q9UBN7 3/20 0.33
HDAC1 Q13547 3/20 0.33
NR3C1 P04150 1/20 0.33
HDAC4 P56524 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
HDAC2 Q92769 1/20 0.32
P2RX7 Q99572 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
NFKB1 P19838 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
SCHEMBL9575536 0.88 ACHE (0.43) ACHEMEN1KMT2ATSHRFGFR1
SCHEMBL9575550 0.86 ACHE (0.42) ACHEMEN1KMT2ATSHRFGFR1
SCHEMBL9575539 0.86 MEN1 (0.48) ACHEMEN1KMT2ATSHRFGFR1
SCHEMBL9575565 0.82 RPS6KA3 (0.39) MEN1KMT2ATSHRFGFR1HDAC6
SCHEMBL10405793 0.78 ACHE (0.44) ACHEMEN1KMT2ATSHRFGFR1
SCHEMBL9575530 0.77 ACHE (0.43) ACHEMEN1KMT2ATSHRHDAC6
SCHEMBL8711549 0.76 ACHE (0.40) ACHEMEN1KMT2ATSHRFGFR1
SCHEMBL9366802 0.76 MEN1 (0.63) ACHEMEN1KMT2ATSHRHDAC6
SCHEMBL8711561 0.76 ACHE (0.39) ACHEMEN1KMT2ATSHRFGFR1
SCHEMBL8713036 0.75 ACHE (0.47) ACHEMEN1KMT2ATSHRFGFR1

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-5225550-A PROCESS FOR THE PREPARATION OF SUBSTITUTED ACYCLIC NUCLEOSIDES, AND INTERMEDIATES OCCURRING THEREIN HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-06 US disclosed