SCHEMBL9735781

SCHEMBL9735781

CN(C(=O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(N(C)C(=O)CO)c1I

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.60
CYP2C19 P33261 1/20 0.60
HIF1A Q16665 1/20 0.60
EGFR P00533 1/20 0.37
SRC P12931 1/20 0.37
MAP2K1 Q02750 7/20 0.33
MAP2K2 P36507 2/20 0.33
PRKCZ Q05513 1/20 0.33
IARS2 Q9NSE4 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
CA2 P00918 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
Iomeprol SCHEMBL26981 0.97 LMNA (0.63) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL9389731 0.94 LMNA (0.59) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL14790186 0.94 LMNA (0.59) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL363705 0.92 LMNA (0.58) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL15988174 0.92 LMNA (0.58) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL15849020 0.92 LMNA (0.58) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL9736390 0.91 LMNA (0.57) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL22661240 0.90 LMNA (0.58) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL29472330 0.88 LMNA (0.59) LMNACYP2C19HIF1AEGFRSRC
Iodixanol SCHEMBL28086692 0.87 LMNA (0.83) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0365541-B1 PREPARATION OF 5-ACYLAMINO-2,4,6-TRIIODO- OR TRIBROMO-BENZOIC ACID DERIVATIVES BRACCO S.p.A. (IT) 1992-08-12 EP disclosed
US-5066823-A Rearrangement reaction, contrast agent for radiology BRACCO INDUSTRIA CHEMICA S.P.A. (IT) 1991-11-19 US disclosed
EP-0365541-A1 PREPARATION OF 5-ACYLAMINO-2,4,6-TRIIODO- OR TRIBROMO-BENZOIC ACID DERIVATIVES. BRACCO IND CHIMICA SPA (IT) 1990-05-02 EP disclosed
WO-1988009328-A1 PREPARATION OF 5-ACYLAMINO-2,4,6-TRIIODO- OR TRIBROMO-BENZOIC ACID DERIVATIVES BRACCO INDUSTRIA CHIMICA S.P.A. (IT) 1988-12-01 WO disclosed