SCHEMBL28558136

SCHEMBL28558136

Nc1cc(C(=O)O)c(I)c(C(=O)O)c1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.42
KDM4E B2RXH2 10/20 0.41
KMT2A Q03164 7/20 0.41
GFER P55789 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MEN1 O00255 5/20 0.39
TDP1 Q9NUW8 5/20 0.39
MAPT P10636 5/20 0.39
THRB P10828 4/20 0.39
RECQL P46063 2/20 0.39
USP2 O75604 2/20 0.39
PKM P14618 2/20 0.39
MCL1 Q07820 2/20 0.39
POLB P06746 2/20 0.39
APEX1 P27695 1/20 0.39
BLM P54132 1/20 0.39
CYP3A4 P08684 4/20 0.38
GLA P06280 1/20 0.38
KEAP1 Q14145 1/20 0.38
ALDH1A1 P00352 7/20 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
SCHEMBL4382058 0.83 KDM4E (0.43) IDO1KDM4EKMT2AGFERRXFP1
SCHEMBL29093427 0.82 KDM4E (0.45) KDM4EKMT2AMEN1MAPTPOLB
SCHEMBL2010693 0.78 TPMT (0.48) IDO1KDM4EKMT2AGFERRXFP1
SCHEMBL30539299 0.78 TPMT (0.48) IDO1KDM4EKMT2AGFERRXFP1
Hydrochloric Acid SCHEMBL8379120 0.77 TPMT (0.46) IDO1KMT2AMEN1TDP1MAPT
Hydrochloric Acid SCHEMBL8516696 0.77 TPMT (0.46) IDO1KMT2AMEN1TDP1MAPT
SCHEMBL10609528 0.73 KDM4E (0.54) IDO1KDM4EKMT2AGFERRXFP1
SCHEMBL31086644 0.72 TSHR (0.42) IDO1KDM4EKMT2AGFERRXFP1
SCHEMBL2888317 0.71 KDM4E (0.54) IDO1KDM4EKMT2AGFERRXFP1
SCHEMBL987442 0.71 IDO1 (0.62) IDO1KDM4EKMT2AGFERRXFP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112778151-B Preparation method of 5-amino-2, 4, 6-triiodo-1, 3-phthalic acid impurity 浙江司太立制药股份有限公司 2022-11-25 CN claimed
CN-112778151-A Preparation method of 5-amino-2, 4, 6-triiodo-1, 3-phthalic acid impurity 浙江司太立制药股份有限公司 2021-05-11 CN claimed
CN-112778151-B Preparation method of 5-amino-2, 4, 6-triiodo-1, 3-phthalic acid impurity 浙江司太立制药股份有限公司 2022-11-25 CN disclosed
CN-112778151-A Preparation method of 5-amino-2, 4, 6-triiodo-1, 3-phthalic acid impurity 浙江司太立制药股份有限公司 2021-05-11 CN disclosed