Sugi Predict

Sugi Predict / Compounds / SCHEMBL8978095

SCHEMBL8978095

SCHEMBL8978095

O=C(NCC(O)CO)c1c(I)c(O)c(I)c(C(=O)NCC(CNC(=O)c2c(I)c(O)c(I)c(C(=O)NCC(O)CO)c2I)(CNC(=O)c2c(I)c(O)c(I)c(C(=O)NC(CO)CO)c2I)CNC(=O)c2c(I)c(O)c(I)c(C(=O)NC(CO)CO)c2I)c1I

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ EGFR P00533 1/20 0.32
▸ SRC P12931 1/20 0.32
▸ MAP2K1 Q02750 3/20 0.31
▸ MAP2K2 P36507 1/20 0.31
▸ PRKCZ Q05513 1/20 0.31
▸ IARS2 Q9NSE4 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
SCHEMBL14777479 0.92 LMNA (0.52) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL8978048 0.91 LMNA (0.48) LMNACYP2C19HIF1A
SCHEMBL9269955 0.90 LMNA (0.47) LMNACYP2C19HIF1A
SCHEMBL3426791 0.84 LMNA (0.59) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL3382609 0.81 LMNA (0.51) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL2531522 0.81 LMNA (0.51) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL14790185 0.80 LMNA (0.56) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL3430438 0.80 LMNA (0.58) LMNACYP2C19HIF1AMAP2K1
SCHEMBL30945850 0.79 LMNA (0.54) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL29234148 0.79 LMNA (0.54) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0707572-A1 IODINATED OLIGOMERIC COMPOUNDS AND DIAGNOSTIC COMPOSITIONS CONTAINING THE SAME BRACCO S.p.A. (IT) 1996-04-24 — — EP disclosed