SCHEMBL28816554

SCHEMBL28816554

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

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.67
TSHR P16473 2/20 0.67
CYP2C19 P33261 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
HPGD P15428 5/20 0.40
MAPT P10636 3/20 0.40
ALOX12 P18054 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 4/20 0.39
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL29557184 0.88 MAPK1 (0.51) MAPK1TSHRCYP2C19HPGDMAPT
Ioglycamic Acid SCHEMBL29881458 0.88 TSHR (0.70) MAPK1TSHRKDM4CHPGDMAPT
Ioglycamic Acid SCHEMBL433485 0.88 TSHR (0.70) MAPK1TSHRKDM4CHPGDMAPT
SCHEMBL30129801 0.87 TSHR (0.50) MAPK1TSHRCYP2C19KDM4CHPGD
Iotrizoic Acid SCHEMBL2111608 0.87 TSHR (0.58) MAPK1TSHRCYP2C19KDM4CHPGD
Iotrizoic Acid SCHEMBL31409209 0.87 TSHR (0.58) MAPK1TSHRCYP2C19KDM4CHPGD
Iotroxic Acid SCHEMBL38038 0.84 TSHR (0.65) MAPK1TSHRMAPTLMNASMN1; SMN2
Iotroxic Acid SCHEMBL27729545 0.84 TSHR (0.65) MAPK1TSHRMAPTLMNASMN1; SMN2
Iotetric Acid SCHEMBL27748028 0.84 TSHR (0.65) MAPK1TSHRMAPTLMNASMN1; SMN2
Iotetric Acid SCHEMBL37863 0.84 TSHR (0.65) MAPK1TSHRMAPTLMNASMN1; 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-102964269-B Novel preparation method of iopromide ZHEJIANG HICHI PHARMACEUTICAL CO LTD 2015-01-28 CN claimed