SCHEMBL9735119

SCHEMBL9735119

CC(=O)Nc1c(I)c(C(=O)NCC(O)CO)c(I)c(N(CCO)C(=O)CO)c1I

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.56
CYP2C19 P33261 1/20 0.56
HIF1A Q16665 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.38
EGFR P00533 1/20 0.31
SRC P12931 1/20 0.31
MAP2K1 Q02750 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
Ioversol SCHEMBL7794872 0.88 LMNA (0.65) LMNACYP2C19HIF1AEGFRSRC
Ioversol SCHEMBL9745016 0.88 LMNA (0.64) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL9736495 0.88 LMNA (0.60) LMNACYP2C19HIF1AEGFRSRC
Ioversol SCHEMBL24711 0.88 LMNA (0.64) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL9734888 0.85 LMNA (0.56) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL9317161 0.85 LMNA (0.61) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL9196493 0.85 LMNA (0.60) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL9739663 0.84 LMNA (0.60) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL7795950 0.84 LMNA (0.59) LMNACYP2C19HIF1AEGFRSRC
Ioversol SCHEMBL7774937 0.83 LMNA (0.61) 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