SCHEMBL9537009

SCHEMBL9537009

CC(=O)Nc1nc2c(ncn2CO[C@@H](CCI)COC(=O)c2ccccc2)c(=O)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
TSHR P16473 1/20 0.54
PDE3A Q14432 1/20 0.44
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
NFKB1 P19838 1/20 0.42
BLM P54132 1/20 0.42
VCP P55072 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
TK1 P04183 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
PNP P00491 1/20 0.36

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
SCHEMBL9537005 1.00 MEN1 (0.54) MEN1KMT2ATSHRPDE3AALDH1A1
SCHEMBL9537021 1.00 MEN1 (0.54) MEN1KMT2ATSHRPDE3AALDH1A1
SCHEMBL9538547 0.87 MEN1 (0.49) MEN1KMT2ATSHRPDE3AALDH1A1
SCHEMBL9538968 0.87 HPGD (0.43) MEN1KMT2ATSHRPDE3AALDH1A1
SCHEMBL9538872 0.87 HPGD (0.43) MEN1KMT2ATSHRPDE3AALDH1A1
SCHEMBL9538971 0.87 HPGD (0.43) MEN1KMT2ATSHRPDE3AALDH1A1
SCHEMBL9536211 0.86 MEN1 (0.49) MEN1KMT2ATSHRPDE3AALDH1A1
SCHEMBL2467673 0.82 MEN1 (0.71) MEN1KMT2ATSHRPDE3AALDH1A1
SCHEMBL6378699 0.80 MEN1 (0.58) MEN1KMT2ATSHRPDE3AALDH1A1
SCHEMBL9022143 0.79 KMT2A (0.62) MEN1KMT2ATSHRPDE3AALDH1A1

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
WO-1993006112-A1 THERAPEUTIC NUCLEOSIDES THE WELLCOME FOUNDATION LIMITED (GB) 1993-04-01 WO claimed
WO-1993006112-A1 THERAPEUTIC NUCLEOSIDES THE WELLCOME FOUNDATION LIMITED (GB) 1993-04-01 WO disclosed