SCHEMBL9736602

SCHEMBL9736602

CNC(=O)COc1c(I)c(C(=O)OCC(O)CO)c(I)c(C(=O)OCC(O)CO)c1I

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 3/20 0.33
LMNA P02545 3/20 0.31
KDM4E B2RXH2 1/20 0.31
DUSP3 P51452 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 1/20 0.30
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 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
SCHEMBL7094830 0.80 LMNA (0.51) LMNAKDM4ECYP2C19HIF1ABCHE
SCHEMBL11683149 0.77 LMNA (0.40) TDP2LMNAKDM4EDUSP3MEN1
SCHEMBL14793009 0.77 LMNA (0.48) LMNACYP2C19HIF1A
SCHEMBL11294469 0.76 LMNA (0.36) TDP2LMNAKDM4EDUSP3MEN1
SCHEMBL9735879 0.75 LMNA (0.39) LMNACYP2C19HIF1A
SCHEMBL9735193 0.75 LMNA (0.46) LMNACYP2C19HIF1A
SCHEMBL9852554 0.72 SMN1; SMN2 (0.43) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL8667841 0.70 SMN1; SMN2 (0.48) TDP2LMNAKDM4EDUSP3MEN1
SCHEMBL9736417 0.69 LMNA (0.37) TDP2LMNAKDM4EDUSP3MEN1
SCHEMBL7615509 0.69 CYP2C19 (0.63) LMNACYP2C19HIF1A

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