SCHEMBL8905997

SCHEMBL8905997

CC(=O)Nc1c(I)c(C(N)=O)c(I)c(C(=O)NCC(COC(C)=O)OC(C)=O)c1I

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.38
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ABCB1 P08183 1/20 0.34
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL17124727 0.95 LMNA (0.41) LMNACYP2C19HIF1ASMN1; SMN2ABCB1
SCHEMBL9009279 0.91 LMNA (0.49) LMNACYP2C19HIF1ASMN1; SMN2ABCB1
SCHEMBL8377994 0.91 LMNA (0.38) LMNACYP2C19HIF1AABCB1TDP1
SCHEMBL28880451 0.90 LMNA (0.43) LMNACYP2C19HIF1ASMN1; SMN2ABCB1
SCHEMBL9009328 0.90 LMNA (0.38) LMNACYP2C19HIF1ASMN1; SMN2ABCB1
SCHEMBL4927394 0.90 LMNA (0.38) LMNACYP2C19HIF1ASMN1; SMN2ABCB1
SCHEMBL9563072 0.89 LMNA (0.37) LMNACYP2C19HIF1ASMN1; SMN2ABCB1
SCHEMBL8379840 0.88 LMNA (0.39) LMNACYP2C19HIF1AABCB1TDP1
SCHEMBL8741511 0.87 LMNA (0.39) LMNACYP2C19HIF1ASMN1; SMN2ABCB1
SCHEMBL28880448 0.87 LMNA (0.36) LMNACYP2C19HIF1AABCB1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113816868-B Synthesis method of iohexol 浙江海洲制药有限公司 2023-07-21 CN disclosed
CN-116253660-A Synthesis method of iohexol 辽宁药联制药有限公司 2023-06-13 CN disclosed
CN-113816868-A Synthesis method of iohexol 浙江海洲制药有限公司 2021-12-21 CN disclosed
US-5698739-A RADIOLOGY SCHERING AKTIENGESELLSCHAFT (DE) 1997-12-16 US disclosed
EP-0406992-B1 New non-ionic carboxamide contrast agent SCHERING AG (DE) 1995-03-15 EP disclosed
EP-0406992-A2 New non-ionic carboxamide contrast agent SCHERING AKTIENGESELLSCHAFT (DE) 1991-01-09 EP disclosed