SCHEMBL8378015

SCHEMBL8378015

CC(=O)Nc1c(I)c(NC(=O)c2c(I)c(NC(C)=O)c(I)c(C(=O)NCC(O)CO)c2I)c(I)c(C(=O)NCC(O)CO)c1I

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.56
CYP2C19 P33261 1/20 0.56
HIF1A Q16665 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.49
EGFR P00533 1/20 0.37
SRC P12931 1/20 0.37
MAP2K1 Q02750 7/20 0.35
MAP2K2 P36507 2/20 0.33
PRKCZ Q05513 1/20 0.33
IARS2 Q9NSE4 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 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
SCHEMBL14769256 0.96 LMNA (0.56) LMNACYP2C19HIF1ASMN1; SMN2EGFR
SCHEMBL619944 0.96 LMNA (0.60) LMNACYP2C19HIF1ASMN1; SMN2EGFR
SCHEMBL1557465 0.94 LMNA (0.59) LMNACYP2C19HIF1ASMN1; SMN2EGFR
SCHEMBL8379830 0.92 LMNA (0.53) LMNACYP2C19HIF1ASMN1; SMN2EGFR
SCHEMBL9189596 0.92 LMNA (0.56) LMNACYP2C19HIF1ASMN1; SMN2EGFR
SCHEMBL9237406 0.91 LMNA (0.55) LMNACYP2C19HIF1ASMN1; SMN2EGFR
SCHEMBL8905505 0.91 SMN1; SMN2 (0.57) LMNACYP2C19HIF1ASMN1; SMN2EGFR
SCHEMBL8905699 0.91 LMNA (0.55) LMNACYP2C19HIF1ASMN1; SMN2EGFR
SCHEMBL8373468 0.90 LMNA (0.51) LMNACYP2C19HIF1ASMN1; SMN2EGFR
SCHEMBL15489155 0.90 LMNA (0.51) 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