SCHEMBL28774875

SCHEMBL28774875

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.36
ALOX12 P18054 2/20 0.36
MAPK1 P28482 2/20 0.36
POLB P06746 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HPGD P15428 6/20 0.36
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 2/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34

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) LMNAALDH1A1KDM4EALOX12MAPK1
SCHEMBL29557173 0.88 LMNA (0.43) LMNAALDH1A1ALOX12MAPK1HPGD
SCHEMBL11874229 0.86 LMNA (0.47) LMNAALDH1A1KDM4EALOX12MAPK1
SCHEMBL4311751 0.80 LMNA (0.47) LMNAALDH1A1KDM4EALOX12MAPK1
SCHEMBL708587 0.79 ALDH1A1 (0.42) LMNAALDH1A1KDM4EHSD17B10HPGD
SCHEMBL10878856 0.79 HPGD (0.47) LMNAALDH1A1ALOX12MAPK1HPGD
Hydrochloric Acid SCHEMBL1020768 0.78 LMNA (0.46) LMNAALDH1A1KDM4EALOX12MAPK1
SCHEMBL30480271 0.78 LMNA (0.72) LMNAALDH1A1HPGDSMN1; SMN2CYP2C19
SCHEMBL12217873 0.78 LMNA (0.72) LMNAALDH1A1HPGDSMN1; SMN2CYP2C19
SCHEMBL9456178 0.77 TSHR (0.38) LMNAMAPK1TSHR

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