SCHEMBL9736246

SCHEMBL9736246

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

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.45
HIF1A Q16665 1/20 0.45
LMNA P02545 2/20 0.43

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
SCHEMBL9196450 0.93 CYP2C19 (0.42) CYP2C19HIF1ALMNA
SCHEMBL8380649 0.93 CYP2C19 (0.41) CYP2C19HIF1ALMNA
SCHEMBL9735199 0.91 CYP2C19 (0.42) CYP2C19HIF1ALMNA
SCHEMBL9189582 0.89 CYP2C19 (0.40) CYP2C19HIF1ALMNA
SCHEMBL1856683 0.87 CYP2C19 (0.60) CYP2C19HIF1ALMNA
SCHEMBL30355253 0.86 CYP2C19 (0.39) CYP2C19HIF1ALMNA
SCHEMBL7095050 0.86 CYP2C19 (0.39) CYP2C19HIF1ALMNA
SCHEMBL9734504 0.85 CYP2C19 (0.46) CYP2C19HIF1ALMNA
SCHEMBL9548440 0.84 CYP2C19 (0.40) CYP2C19HIF1ALMNA
SCHEMBL5030981 0.83 CYP2C19 (0.40) CYP2C19HIF1ALMNA

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