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SCHEMBL7525129

SCHEMBL7525129

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

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HIF1A Q16665 1/20 0.38

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
SCHEMBL7532183 0.91 LMNA (0.30) LMNA
SCHEMBL7524812 0.89 CYP2C19 (0.43) LMNACYP2C19HIF1A
SCHEMBL7530116 0.86 LMNA (0.48) LMNACYP2C19HIF1A
SCHEMBL7523883 0.83 CYP2C19 (0.41) LMNACYP2C19HIF1A
SCHEMBL7532512 0.82 ABCB1 (0.31) —
SCHEMBL7530588 0.81 LMNA (0.53) LMNACYP2C19HIF1A
SCHEMBL7526239 0.81 LMNA (0.47) LMNACYP2C19HIF1A
SCHEMBL7523891 0.80 LMNA (0.41) LMNA
SCHEMBL7522959 0.78 LMNA (0.42) LMNACYP2C19HIF1A
SCHEMBL7523870 0.77 LMNA (0.42) LMNA

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