SCHEMBL29557173

SCHEMBL29557173

COCC(=O)Nc1c(I)c(C(=O)O)c(I)c(C(=O)Cl)c1I

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
MAPK1 P28482 2/20 0.38
TSHR P16473 2/20 0.38
HPGD P15428 5/20 0.37
MAPT P10636 2/20 0.37
CYP2C19 P33261 1/20 0.37
ALOX12 P18054 1/20 0.37
HTT P42858 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
CSNK2A2 P19784 1/20 0.33
CSNK2A1 P68400 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
SCHEMBL1020767 0.94 LMNA (0.46) LMNAMAPK1TSHRHPGDMAPT
SCHEMBL4311751 0.92 LMNA (0.47) LMNAMAPK1TSHRHPGDMAPT
Hydrochloric Acid SCHEMBL1020768 0.91 LMNA (0.46) LMNAMAPK1TSHRHPGDMAPT
SCHEMBL28774875 0.88 LMNA (0.43) LMNAMAPK1TSHRHPGDMAPT
SCHEMBL11874229 0.86 LMNA (0.47) LMNAMAPK1TSHRHPGDMAPT
SCHEMBL11406813 0.84 LMNA (0.47) LMNAMAPK1TSHRHPGDMAPT
SCHEMBL11879797 0.84 LMNA (0.55) LMNAMAPK1TSHRHPGDMAPT
SCHEMBL28311718 0.80 LMNA (0.45) LMNAMAPK1TSHRHPGDMAPT
SCHEMBL11522677 0.80 LMNA (0.52) LMNAMAPK1TSHRHPGDMAPT
SCHEMBL3726723 0.79 TSHR (0.40) LMNAMAPK1TSHRSMN1; SMN2

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-110015972-B Preparation method of iopromide intermediate 台州学院 2022-05-03 CN disclosed