SCHEMBL9538968

SCHEMBL9538968

CC(=O)Nc1nc2ncn(CO[C@@H](CCI)COC(=O)c3ccccc3)c2c(=O)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.43
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
FGFR1 P11362 2/20 0.37
FGFR2 P21802 2/20 0.37
POLB P06746 1/20 0.35
ALOX15 P16050 1/20 0.35
GDA Q9Y2T3 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
PDE3A Q14432 1/20 0.32

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
SCHEMBL9538971 1.00 HPGD (0.43) HPGDALDH1A1SMN1; SMN2MEN1TSHR
SCHEMBL9538872 1.00 HPGD (0.43) HPGDALDH1A1SMN1; SMN2MEN1TSHR
SCHEMBL9540499 0.92 HPGD (0.45) HPGDALDH1A1SMN1; SMN2MEN1TSHR
SCHEMBL9540520 0.92 HPGD (0.45) HPGDALDH1A1SMN1; SMN2MEN1TSHR
SCHEMBL9540513 0.92 HPGD (0.45) HPGDALDH1A1SMN1; SMN2MEN1TSHR
SCHEMBL9537005 0.87 MEN1 (0.54) ALDH1A1SMN1; SMN2MEN1TSHRKMT2A
SCHEMBL9537009 0.87 MEN1 (0.54) ALDH1A1SMN1; SMN2MEN1TSHRKMT2A
SCHEMBL9537021 0.87 MEN1 (0.54) ALDH1A1SMN1; SMN2MEN1TSHRKMT2A
SCHEMBL2467775 0.82 KMT2A (0.50) HPGDALDH1A1SMN1; SMN2MEN1TSHR
SCHEMBL9019840 0.78 HPGD (0.46) HPGDALDH1A1SMN1; SMN2MEN1TSHR

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