SCHEMBL7527604

SCHEMBL7527604

O=C(NCC(O)CO)c1c(Br)c(C(=O)NCC(O)CO)c(Br)c(N(CCO)C(=O)CO)c1Br

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
EGFR P00533 1/20 0.33
SRC P12931 1/20 0.33
CNR2 P34972 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL7524355 0.88 CYP2C19 (0.52) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL21671029 0.82 LMNA (0.45) LMNACYP2C19HIF1AEGFRSRC
Ioversol SCHEMBL24711 0.82 LMNA (0.64) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL9736495 0.82 LMNA (0.60) LMNACYP2C19HIF1AEGFRSRC
Ioversol SCHEMBL9745016 0.82 LMNA (0.64) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL7524831 0.82 LMNA (0.44) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL7526239 0.81 LMNA (0.47) LMNACYP2C19HIF1A
SCHEMBL11058204 0.80 LMNA (0.47) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL9140850 0.79 LMNA (0.40) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL9196493 0.79 LMNA (0.60) 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