SCHEMBL9734971

SCHEMBL9734971

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

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL9735316 0.84 LMNA (0.36) LMNACYP2C19HIF1A
SCHEMBL9735074 0.84 LMNA (0.32) LMNACYP2C19HIF1A
SCHEMBL9734504 0.82 CYP2C19 (0.46) LMNACYP2C19HIF1A
SCHEMBL9735219 0.78 LMNA (0.32) LMNACYP2C19HIF1A
SCHEMBL8380649 0.75 CYP2C19 (0.41) LMNACYP2C19HIF1A
SCHEMBL9194281 0.75 CYP2C19 (0.47) LMNACYP2C19HIF1A
SCHEMBL9194273 0.74 CYP2C19 (0.51) LMNACYP2C19HIF1A
SCHEMBL9548440 0.74 CYP2C19 (0.40) LMNACYP2C19HIF1A
SCHEMBL8824849 0.74 LMNA (0.31) LMNACYP2C19HIF1A
SCHEMBL12917624 0.74 LMNA (0.49) 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