SCHEMBL19645487

SCHEMBL19645487

Cc1c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c(I)c1N(C=O)CC(O)CN(C=O)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.61
CYP2C19 P33261 1/20 0.58
HIF1A Q16665 1/20 0.58
EGFR P00533 1/20 0.33
SRC P12931 1/20 0.33
MAP2K1 Q02750 2/20 0.32

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
SCHEMBL19261514 0.99 LMNA (0.60) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL19645492 0.97 LMNA (0.60) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL19261485 0.96 LMNA (0.56) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL19645484 0.94 LMNA (0.56) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL19261519 0.94 LMNA (0.54) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL19261530 0.93 LMNA (0.56) LMNACYP2C19HIF1AEGFRSRC
Ioforminol SCHEMBL374830 0.93 LMNA (0.65) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL19261524 0.93 LMNA (0.53) LMNACYP2C19HIF1A
SCHEMBL21727971 0.92 LMNA (0.72) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL19261490 0.91 LMNA (0.54) LMNACYP2C19HIF1AEGFRSRC

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
US-9827334-B2 Preparation of ioforminol, an x-ray contrast agent GE HEALTHCARE AS (NO) 2017-11-28 US disclosed