SCHEMBL9575565

SCHEMBL9575565

CC(=O)Nc1ncc2ncn(COC(CCOC(C)C)OC(C)C)c2n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ADRA1A P35348 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
FLT3 P36888 1/20 0.32
HDAC6 Q9UBN7 1/20 0.31
CCR4 P51679 1/20 0.31
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
FGFR1 P11362 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL9575441 0.87 RPS6KA3 (0.35) RPS6KA3KDM4EALDH1A1HPGDADRA1A
SCHEMBL9575559 0.85 ALDH1A1 (0.41) RPS6KA3KDM4EALDH1A1HPGDADRA1A
SCHEMBL9575560 0.82 ACHE (0.40) ALDH1A1MEN1TSHRKMT2AHDAC6
SCHEMBL9575400 0.82 KDM4E (0.46) RPS6KA3KDM4EALDH1A1HPGDADRA1A
SCHEMBL9575434 0.76 CYP1A2 (0.37) RPS6KA3KDM4EALDH1A1HPGDADRA1A
SCHEMBL9125548 0.75
SCHEMBL9371648 0.75 MEN1 (0.57) RPS6KA3KDM4EALDH1A1HPGDADRA1A
SCHEMBL9125846 0.73
SCHEMBL9575536 0.71 ACHE (0.43) MEN1TSHRKMT2AFLT3FGFR1
SCHEMBL9575800 0.69 ALDH1A1 (0.40) KDM4EALDH1A1HPGDADRA1AHSD17B10

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