SCHEMBL9538573

SCHEMBL9538573

CCC(CC)(OC(=O)c1ccccc1)[C@@H](CCP(=O)(O)O)OCn1cnc2c(=O)[nH]c(NC(C)=O)nc21

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 1/20 0.49
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
HPRT1 P00492 7/20 0.40
PNP P00491 5/20 0.40

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
SCHEMBL9536276 0.94 MEN1 (0.46) MEN1TSHRKMT2ATAS1R3TAS1R1
SCHEMBL9536237 0.94 MEN1 (0.46) MEN1TSHRKMT2ATAS1R3TAS1R1
SCHEMBL9538547 0.79 MEN1 (0.49) MEN1TSHRKMT2ATAS1R3TAS1R1
SCHEMBL9537021 0.77 MEN1 (0.54) MEN1TSHRKMT2ATAS1R3TAS1R1
SCHEMBL9537005 0.77 MEN1 (0.54) MEN1TSHRKMT2ATAS1R3TAS1R1
SCHEMBL9537009 0.77 MEN1 (0.54) MEN1TSHRKMT2ATAS1R3TAS1R1
SCHEMBL9536211 0.76 MEN1 (0.49) MEN1TSHRKMT2ATAS1R3TAS1R1
SCHEMBL14963622 0.74 KMT2A (0.66) MEN1TSHRKMT2ATAS1R3TAS1R1
SCHEMBL14421454 0.74 MEN1 (0.69) MEN1TSHRKMT2ATAS1R3TAS1R1
SCHEMBL2576527 0.73 MEN1 (0.66) MEN1TSHRKMT2ATAS1R3TAS1R1

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