SCHEMBL9735167

SCHEMBL9735167

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
CYP2C19 P33261 1/20 0.53
HIF1A Q16665 1/20 0.53
EGFR P00533 1/20 0.36
SRC P12931 1/20 0.36
MAP2K1 Q02750 6/20 0.34
MAP2K2 P36507 1/20 0.34
PRKCZ Q05513 1/20 0.34
IARS2 Q9NSE4 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
KMT2A Q03164 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HPGD P15428 1/20 0.33
CA2 P00918 1/20 0.32
TYMP P19971 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
SCHEMBL3426791 0.92 LMNA (0.59) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL14790185 0.88 LMNA (0.56) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL621824 0.87 LMNA (0.52) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL30945850 0.87 LMNA (0.54) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL29234148 0.87 LMNA (0.54) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL8379792 0.85 LMNA (0.51) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL14777479 0.84 LMNA (0.52) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL16875799 0.84 LMNA (0.49) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL8377190 0.82 LMNA (0.49) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL622239 0.82 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 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