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SCHEMBL7523883

SCHEMBL7523883

CC(=O)OCC(CNC(=O)c1c(Br)c(C(N)=O)c(Br)c(N(CC(O)CO)C(=O)CC(=O)N(CC(O)CO)c2c(Br)c(C(N)=O)c(Br)c(C(=O)NCC(COC(C)=O)OC(C)=O)c2Br)c1Br)OC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ LMNA P02545 2/20 0.39

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
SCHEMBL7524812 0.90 CYP2C19 (0.43) CYP2C19HIF1ALMNA
SCHEMBL7521432 0.85 CYP2C19 (0.48) CYP2C19HIF1ALMNA
SCHEMBL7525129 0.83 LMNA (0.38) CYP2C19HIF1ALMNA
SCHEMBL7530164 0.76 ABCB1 (0.33) —
SCHEMBL30485532 0.75 CYP2C19 (0.74) CYP2C19HIF1ALMNA
SCHEMBL30485531 0.75 CYP2C19 (0.74) CYP2C19HIF1ALMNA
SCHEMBL7526879 0.74 ABCB1 (0.33) —
SCHEMBL7527382 0.74 CYP2C19 (0.69) CYP2C19HIF1ALMNA
SCHEMBL7524355 0.74 CYP2C19 (0.52) CYP2C19HIF1ALMNA
SCHEMBL7523412 0.74 ABCB1 (0.37) —

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1186305-A1 New brominated compounds as contrast media for X-ray mammography Schering Aktiengesellschaft (DE) 2002-03-13 — — EP disclosed