SCHEMBL28450360

SCHEMBL28450360

CONC(CCSC)C(=O)OP(=O)(O)Cl

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.36
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
HPGD P15428 1/20 0.34
USP2 O75604 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL7797032 0.78 TAS1R3 (0.37) ALDH1A1TAS1R3TAS1R1
SCHEMBL31588587 0.74 MAPK1 (0.51) L3MBTL1ALDH1A1CYP2C9MAPK1GAA
SCHEMBL28455795 0.71 CA12 (0.33)
SCHEMBL5050593 0.71 CA12 (0.33)
SCHEMBL7023279 0.70 FDPS (0.35) TAS1R3TAS1R1
SCHEMBL10004949 0.68 CA12 (0.35)
SCHEMBL7774946 0.68 CA1 (0.42) TAS1R3TAS1R1TSHR
SCHEMBL13400533 0.67 L3MBTL1 (0.52) L3MBTL1ALDH1A1TAS1R3TAS1R1CYP2C9
SCHEMBL20866670 0.67 L3MBTL1 (0.39) L3MBTL1ALDH1A1TAS1R3TAS1R1CYP2C9
SCHEMBL31261503 0.67 GAA (0.47) L3MBTL1ALDH1A1TAS1R3TAS1R1CYP2C9

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
CN-111527098-A Phosphoramidate diphosphate salt of nucleoside as anticancer compound 努卡那公共有限公司 2020-08-11 CN disclosed