SCHEMBL28688103

SCHEMBL28688103

NC(C(=O)O)C(I)c1ccc(O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.44
NR1I2 O75469 1/20 0.44
PTGS1 P23219 1/20 0.44
ADRA1A P35348 1/20 0.44
LMNA P02545 1/20 0.44
BLM P54132 1/20 0.44
SRC P12931 1/20 0.44
SLC7A5 Q01650 1/20 0.44
GRM8 O00222 1/20 0.41
GRM4 Q14833 1/20 0.41
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
CYP2C9 P11712 4/20 0.40
CYP2C19 P33261 3/20 0.40
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP1A2 P05177 2/20 0.40
ALDH1A1 P00352 5/20 0.37

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
SCHEMBL189878 1.00 TDP1 (0.44) TDP1NR1I2PTGS1ADRA1ALMNA
SCHEMBL3112337 1.00 TDP1 (0.44) TDP1NR1I2PTGS1ADRA1ALMNA
Iodide SCHEMBL27294834 0.98 TDP1 (0.43) TDP1NR1I2PTGS1ADRA1ALMNA
Methane SCHEMBL20292606 0.98 TDP1 (0.43) TDP1NR1I2PTGS1ADRA1ALMNA
SCHEMBL14935915 0.83 CYP2D6 (0.48) LMNASRCKMT2AMEN1CYP2C9
SCHEMBL2939473 0.83 CYP2D6 (0.48) LMNASRCKMT2AMEN1CYP2C9
Methane SCHEMBL5182249 0.82 CYP2D6 (0.46) LMNASRCKMT2AMEN1CYP2C9
Methane SCHEMBL5182658 0.82 CYP2D6 (0.46) LMNASRCKMT2AMEN1CYP2C9
SCHEMBL3666840 0.79 SRC (0.47) TDP1PTGS1ADRA1ALMNASRC
SCHEMBL6046193 0.79 TDP1 (0.47) TDP1NR1I2PTGS1ADRA1ALMNA

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
CN-114008210-A Peptide-based non-protein cargo delivery 费尔丹生物公司 2022-02-01 CN claimed
CN-114008210-A Peptide-based non-protein cargo delivery 费尔丹生物公司 2022-02-01 CN disclosed