SCHEMBL9735193

SCHEMBL9735193

CNC(=O)COc1c(I)c(C(=O)NCCO)c(I)c(C(=O)NCC(O)CO)c1I

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
CYP2C19 P33261 1/20 0.46
HIF1A Q16665 1/20 0.46
EGFR P00533 1/20 0.33
SRC P12931 1/20 0.33
RAB9A P51151 1/20 0.33
MAP2K1 Q02750 5/20 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
SCHEMBL7094830 0.94 LMNA (0.51) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL14793009 0.91 LMNA (0.48) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL8858996 0.91 LMNA (0.47) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL9293485 0.86 LMNA (0.44) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL9736416 0.85 LMNA (0.41) LMNACYP2C19HIF1ARAB9A
SCHEMBL9735042 0.83 LMNA (0.47) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL24217645 0.81 LMNA (0.52) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL9735167 0.78 LMNA (0.53) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL621824 0.76 LMNA (0.52) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL19261487 0.76 LMNA (0.49) 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