SCHEMBL13625355

SCHEMBL13625355

C[N+](=O)c1cc(Br)c(O)c(C=O)c1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 14/20 0.58
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
LCK P06239 1/20 0.36
PRKDC P78527 1/20 0.35

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
SCHEMBL30329716 0.84 ERN1 (0.59) ERN1ALDH1A1LMNAMAPTHTT
SCHEMBL1300350 0.84 ERN1 (0.59) ERN1ALDH1A1LMNAMAPTHTT
SCHEMBL1303936 0.75 ERN1 (0.72) ERN1PRKDC
SCHEMBL2120180 0.74 ERN1 (1.00) ERN1LMNAMAPT
SCHEMBL9189245 0.74 ERN1 (0.69) ERN1PRKDC
SCHEMBL29371317 0.74 ERN1 (1.00) ERN1LMNAMAPT
SCHEMBL931983 0.72 ERN1 (0.60) ERN1ALDH1A1PRKDC
SCHEMBL931158 0.71 ERN1 (0.64) ERN1ALDH1A1MAPT
SCHEMBL31652155 0.71 ERN1 (0.64) ERN1
SCHEMBL29852592 0.71 ERN1 (1.00) ERN1ALDH1A1MAPT

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
WO-2009141236-A1 SPIROPYRANS HAVING FLUOROPHORIC GROUPS BASF SE (DE) 2009-11-26 WO disclosed