SCHEMBL7527378

SCHEMBL7527378

O=C(CCC(O)CO)Nc1c(Br)c(C(=O)NCC(O)CO)c(Br)c(C(=O)NCC(O)CO)c1Br

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
EGFR P00533 1/20 0.34
SRC P12931 1/20 0.34
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
CA2 P00918 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
SCHEMBL7522539 0.87 LMNA (0.43) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL16585107 0.84 LMNA (0.56) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL11058204 0.82 LMNA (0.47) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL7525580 0.82 LMNA (0.40) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL7530763 0.81 LMNA (0.48) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL7531899 0.81 LMNA (0.40) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL7527122 0.80 LMNA (0.38) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL9563100 0.79 LMNA (0.52) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL7524361 0.78 LMNA (0.39) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL7534524 0.77 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 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