SCHEMBL2763330

SCHEMBL2763330

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
CYP2C19 P33261 1/20 0.49
HIF1A Q16665 1/20 0.49
EGFR P00533 1/20 0.34
SRC P12931 1/20 0.34
MAP2K1 Q02750 6/20 0.33
MAP2K2 P36507 1/20 0.32
PRKCZ Q05513 1/20 0.32
IARS2 Q9NSE4 1/20 0.32
CA2 P00918 1/20 0.32
TYMP P19971 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
SCHEMBL1744046 0.95 LMNA (0.53) LMNACYP2C19HIF1AEGFRSRC
Formic Acid SCHEMBL1744741 0.92 LMNA (0.51) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL11292903 0.87 LMNA (0.59) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL28979172 0.85 LMNA (0.52) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL3718498 0.83 LMNA (0.56) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL20034199 0.83 LMNA (0.50) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL30945850 0.82 LMNA (0.54) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL28469692 0.82 LMNA (0.54) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL29234148 0.82 LMNA (0.54) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL8905699 0.82 LMNA (0.55) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2178568-A2 CONTRAST AGENTS GE Healthcare AS (NO) 2010-04-28 EP disclosed
WO-2009008734-A2 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2009-01-15 WO disclosed