SCHEMBL9735316

SCHEMBL9735316

CC(O)C(=O)N(CC(O)C(O)CN(C(=O)C(C)O)c1c(I)c(C(=O)N(CCO)CCO)c(I)c(C(=O)N(CCO)CCO)c1I)c1c(I)c(C(=O)N(CCO)CCO)c(I)c(C(=O)N(CCO)CCO)c1I

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL12917624 0.86 LMNA (0.49) LMNACYP2C19HIF1A
SCHEMBL9734971 0.84 LMNA (0.34) LMNACYP2C19HIF1A
SCHEMBL9736098 0.83 LMNA (0.35) LMNACYP2C19HIF1A
SCHEMBL682140 0.81 LMNA (0.47) LMNACYP2C19HIF1A
SCHEMBL9194281 0.79 CYP2C19 (0.47) LMNACYP2C19HIF1A
SCHEMBL3426999 0.78 LMNA (0.59) LMNACYP2C19HIF1A
SCHEMBL9389783 0.78 CYP2C19 (0.50) LMNACYP2C19HIF1A
SCHEMBL9734504 0.77 CYP2C19 (0.46) LMNACYP2C19HIF1A
SCHEMBL682148 0.76 LMNA (0.56) LMNACYP2C19HIF1A
SCHEMBL9735850 0.75 LMNA (0.43) 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 2 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