SCHEMBL9237406

SCHEMBL9237406

CNC(=O)c1c(I)c(NC(C)=O)c(I)c(C(=O)NCC(O)CO)c1I

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.55
CYP2C19 P33261 1/20 0.55
HIF1A Q16665 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.48
EGFR P00533 1/20 0.36
SRC P12931 1/20 0.36
MAP2K1 Q02750 7/20 0.35
MAP2K2 P36507 2/20 0.32
PRKCZ Q05513 1/20 0.32
IARS2 Q9NSE4 1/20 0.32
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
SCHEMBL619944 0.95 LMNA (0.60) LMNACYP2C19HIF1ASMN1; SMN2EGFR
SCHEMBL1557465 0.93 LMNA (0.59) LMNACYP2C19HIF1ASMN1; SMN2EGFR
SCHEMBL14769256 0.92 LMNA (0.56) LMNACYP2C19HIF1ASMN1; SMN2EGFR
SCHEMBL9189596 0.91 LMNA (0.56) LMNACYP2C19HIF1ASMN1; SMN2EGFR
SCHEMBL8378015 0.91 LMNA (0.56) LMNACYP2C19HIF1ASMN1; SMN2EGFR
SCHEMBL8905505 0.90 SMN1; SMN2 (0.57) LMNACYP2C19HIF1ASMN1; SMN2EGFR
SCHEMBL8905699 0.90 LMNA (0.55) LMNACYP2C19HIF1ASMN1; SMN2EGFR
SCHEMBL9581262 0.88 LMNA (0.57) LMNACYP2C19HIF1ASMN1; SMN2EGFR
Hydrochloric Acid SCHEMBL10429710 0.88 SMN1; SMN2 (0.56) LMNACYP2C19HIF1ASMN1; SMN2EGFR
SCHEMBL10429709 0.88 LMNA (0.54) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0530343-B1 WATER SOLUBLE, NON-IONIC X-RAY CONTRASTING AGENTS AND PROCESS FOR PRODUCING THE SAME KOEHLER CHEMIE DR FRANZ (DE) 1995-09-20 EP disclosed
EP-0530343-A1 WATER SOLUBLE, NON-IONIC X-RAY CONTRASTING AGENTS AND PROCESS FOR PRODUCING THE SAME. KOEHLER CHEMIE DR FRANZ (DE) 1993-03-10 EP disclosed
WO-1992016498-A1 WATER SOLUBLE, NON-IONIC X-RAY CONTRASTING AGENTS AND PROCESS FOR PRODUCING THE SAME Dr. Franz Köhler Chemie GmbH (DE) 1992-10-01 WO disclosed