SCHEMBL8374113

SCHEMBL8374113

NC(=O)Nc1c(I)c(NC(=O)CO)c(I)c(C(=O)NCC(O)CO)c1I

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
CYP2C19 P33261 1/20 0.45
HIF1A Q16665 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.34
EGFR P00533 1/20 0.33
SRC P12931 1/20 0.33
MAP2K1 Q02750 6/20 0.32
MAP2K2 P36507 1/20 0.32
PRKCZ Q05513 1/20 0.32
IARS2 Q9NSE4 1/20 0.32
CA2 P00918 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL10624509 0.93 LMNA (0.57) LMNACYP2C19HIF1ASMN1; SMN2EGFR
SCHEMBL7995861 0.91 LMNA (0.55) LMNACYP2C19HIF1ASMN1; SMN2EGFR
SCHEMBL8375505 0.91 LMNA (0.54) LMNACYP2C19HIF1ASMN1; SMN2EGFR
SCHEMBL5030922 0.91 LMNA (0.60) LMNACYP2C19HIF1ASMN1; SMN2EGFR
SCHEMBL8380618 0.90 LMNA (0.54) LMNACYP2C19HIF1ASMN1; SMN2EGFR
SCHEMBL8375526 0.90 LMNA (0.56) LMNACYP2C19HIF1ASMN1; SMN2EGFR
SCHEMBL9352754 0.89 LMNA (0.58) LMNACYP2C19HIF1ASMN1; SMN2EGFR
SCHEMBL8373468 0.87 LMNA (0.51) LMNACYP2C19HIF1ASMN1; SMN2EGFR
SCHEMBL23817080 0.87 LMNA (0.56) LMNACYP2C19HIF1ASMN1; SMN2EGFR
SCHEMBL9188727 0.87 LMNA (0.56) LMNACYP2C19HIF1ASMN1; SMN2EGFR

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
US-5958376-A Iodinated X-ray contrast media NYCOMED IMAGING AS (NO) 1999-09-28 US disclosed
US-5958375-A Urea-linked, iodinated bis phenyl compounds for X-ray contrast media NYCOMED IMAGING AS (NO) 1999-09-28 US disclosed