SCHEMBL10366153

SCHEMBL10366153

CC(=O)Nc1nc2c(ncn2COC(CC(=O)C(C)(C)C)CC(=O)C(C)(C)C)c(=O)[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
TSHR P16473 2/20 0.61
BLM P54132 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
CYP3A4 P08684 1/20 0.49
NFKB1 P19838 1/20 0.49
VCP P55072 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HIF1A Q16665 1/20 0.49
PDE3A Q14432 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
HBB P68871 2/20 0.39
USP2 O75604 1/20 0.39
PNP P00491 1/20 0.39
EDNRA P25101 1/20 0.39

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
SCHEMBL2576527 0.87 MEN1 (0.66) MEN1KMT2ATSHRBLMALDH1A1
SCHEMBL14963622 0.87 KMT2A (0.66) MEN1KMT2ATSHRBLMALDH1A1
SCHEMBL10364407 0.87 MEN1 (0.61) MEN1KMT2ATSHRBLMALDH1A1
SCHEMBL14421454 0.84 MEN1 (0.69) MEN1KMT2ATSHRBLMALDH1A1
SCHEMBL14963621 0.84 MEN1 (0.63) MEN1KMT2ATSHRBLMALDH1A1
SCHEMBL2467673 0.84 MEN1 (0.71) MEN1KMT2ATSHRBLMALDH1A1
SCHEMBL9022143 0.82 KMT2A (0.62) MEN1KMT2ATSHRBLMALDH1A1
SCHEMBL8446145 0.81 MEN1 (0.67) MEN1KMT2ATSHRBLMALDH1A1
SCHEMBL14421495 0.79 MEN1 (0.70) MEN1KMT2ATSHRBLMALDH1A1
SCHEMBL6378699 0.79 MEN1 (0.58) MEN1KMT2ATSHRBLMALDH1A1

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
EP-0152965-B1 PROCESS FOR PREPARING 2,6-SUBSTITUTED-9-(1,3-DIHYDROXY-2-PROPOXY-MENTHYL)-PURINES AND CERTAIN DERIVATIVES SYNTEX (U.S.A.) INC. (US) 1990-10-24 EP disclosed