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Sugi Predict / Compounds / SCHEMBL7522583

SCHEMBL7522583

SCHEMBL7522583

CN(CC(O)CO)C(=O)c1c(Br)c(NC(=O)COCC(=O)Nc2c(Br)c(C(=O)NCC(O)CO)c(Br)c(C(=O)N(C)CC(O)CO)c2Br)c(Br)c(C(=O)NCC(O)CO)c1Br

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.64
▸ CYP2C19 P33261 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ EGFR P00533 1/20 0.31
▸ SRC P12931 1/20 0.31

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
SCHEMBL7534524 0.91 LMNA (0.60) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL7527232 0.90 LMNA (0.59) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL7529357 0.83 LMNA (0.64) LMNA
SCHEMBL7530588 0.83 LMNA (0.53) LMNACYP2C19HIF1A
SCHEMBL7530116 0.82 LMNA (0.48) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL7525045 0.82 LMNA (0.51) LMNACYP2C19HIF1A
SCHEMBL7526239 0.81 LMNA (0.47) LMNACYP2C19HIF1A
SCHEMBL7530763 0.80 LMNA (0.48) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL7523494 0.79 LMNA (0.49) LMNACYP2C19HIF1A
SCHEMBL7524163 0.79 LMNA (0.49) LMNACYP2C19HIF1AEGFRSRC

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