SCHEMBL9736586

SCHEMBL9736586

O=C(NCCO)c1c(I)c(N(CCO)C(=O)CO)c(I)c(N(CCO)C(=O)CO)c1I

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
NTRK2 Q16620 1/20 0.35
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL9451148 0.87 LMNA (0.38) LMNACYP2C19HIF1ANTRK2HTT
SCHEMBL9009157 0.86 LMNA (0.40) LMNACYP2C19HIF1ANTRK2POLB
SCHEMBL9736495 0.82 LMNA (0.60) LMNACYP2C19HIF1AHPGD
Ioversol SCHEMBL24711 0.80 LMNA (0.64) LMNACYP2C19HIF1AHPGD
Ioversol SCHEMBL9745016 0.80 LMNA (0.64) LMNACYP2C19HIF1AHPGD
SCHEMBL9735097 0.80
SCHEMBL9234116 0.79 LMNA (0.60) LMNACYP2C19HIF1ANTRK2
SCHEMBL9235081 0.79 LMNA (0.48) LMNACYP2C19HIF1ANTRK2
SCHEMBL9196493 0.77 LMNA (0.60) LMNACYP2C19HIF1A
SCHEMBL30358365 0.76 LMNA (0.31) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1988008417-A1 IODIZED BENZENE DIAMINO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND CONTRAST PRODUCTS CONTAINING THEM GUERBET S.A. (FR) 1988-11-03 WO claimed
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
WO-1988008417-A1 IODIZED BENZENE DIAMINO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND CONTRAST PRODUCTS CONTAINING THEM GUERBET S.A. (FR) 1988-11-03 WO disclosed