SCHEMBL5031817

SCHEMBL5031817

NC(=O)c1c(I)cc(I)c(C(N)=O)c1I.Nc1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
CYP2C19 P33261 1/20 0.48
HIF1A Q16665 1/20 0.48
MAP2K1 Q02750 9/20 0.36
MAP2K2 P36507 2/20 0.36
PRKCZ Q05513 1/20 0.36
IARS2 Q9NSE4 1/20 0.36
EGFR P00533 1/20 0.36
SRC P12931 1/20 0.36
CA2 P00918 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
GPR52 Q9Y2T5 1/20 0.32
CNR2 P34972 1/20 0.30
MAPK14 Q16539 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
SCHEMBL2011397 0.92 LMNA (0.49) LMNACYP2C19HIF1AMAP2K1MAP2K2
SCHEMBL28469692 0.92 LMNA (0.54) LMNACYP2C19HIF1AMAP2K1MAP2K2
SCHEMBL619959 0.88 LMNA (0.58) LMNACYP2C19HIF1AMAP2K1MAP2K2
SCHEMBL11292903 0.86 LMNA (0.59) LMNACYP2C19HIF1AMAP2K1MAP2K2
SCHEMBL9513442 0.85 LMNA (0.55) LMNACYP2C19HIF1AMAP2K1MAP2K2
SCHEMBL1359643 0.85 LMNA (0.55) LMNACYP2C19HIF1AMAP2K1MAP2K2
SCHEMBL9191548 0.84 LMNA (0.54) LMNACYP2C19HIF1AMAP2K1MAP2K2
Malonic Acid SCHEMBL11131957 0.82 LMNA (0.53) LMNACYP2C19HIF1AMAP2K1MAP2K2
SCHEMBL32668972 0.82 LMNA (0.53) LMNACYP2C19HIF1AMAP2K1MAP2K2
SCHEMBL8063055 0.82 LMNA (0.53) LMNACYP2C19HIF1AMAP2K1MAP2K2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008104853-A1 PROCESSES FOR THE PREPARATION OF PURE IOVERSOL WOCKHARDT RESEARCH CENTRE (IN) 2008-09-04 WO disclosed