SCHEMBL8612917

SCHEMBL8612917

O=CNc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.58
MAP2K1 Q02750 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 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
SCHEMBL2764077 0.90 LMNA (0.50) LMNACYP2C19HIF1A
SCHEMBL2765365 0.82 LMNA (0.41) LMNA
SCHEMBL11299901 0.78 LMNA (0.58) LMNAMAP2K1CYP2C19HIF1A
SCHEMBL3430438 0.78 LMNA (0.58) LMNAMAP2K1CYP2C19HIF1A
SCHEMBL15760478 0.77 LMNA (0.67) LMNAMAP2K1CYP2C19HIF1A
SCHEMBL8978151 0.77 LMNA (0.71) LMNAMAP2K1CYP2C19HIF1A
SCHEMBL1744046 0.77 LMNA (0.53) LMNAMAP2K1CYP2C19HIF1A
SCHEMBL9853840 0.76 LMNA (0.74) LMNAMAP2K1
SCHEMBL17264622 0.76 LMNA (0.83) LMNAMAP2K1CYP2C19HIF1A
SCHEMBL2763618 0.76 LMNA (0.56) LMNAMAP2K1CYP2C19HIF1A

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-0855997-A4 FORMYL DERIVATIVES AS NONIONIC CONTRAST MEDIA BIOPHYSICA INC (US) 1998-10-07 EP disclosed
EP-0855997-A1 FORMYL DERIVATIVES AS NONIONIC CONTRAST MEDIA BIOPHYSICA, INC. (US) 1998-08-05 EP disclosed
WO-1997000240-A1 FORMYL DERIVATIVES AS NONIONIC CONTRAST MEDIA BIOPHYSICA FOUNDATION (US) 1997-01-03 WO disclosed