SCHEMBL5068704

SCHEMBL5068704

Cc1c(C=O)c2ccccc2n1-c1ccc(O)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
USP14 P54578 1/20 0.41
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ERN1 O75460 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
RORC P51449 1/20 0.36

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
SCHEMBL5068717 0.88 PTGS2 (0.38) ALDH1A1LMNAKMT2AMEN1USP14
SCHEMBL5066619 0.88 PTGS2 (0.38) ALDH1A1LMNAKMT2AMEN1USP14
SCHEMBL5066614 0.88 PTGS2 (0.38) ALDH1A1LMNAKMT2AMEN1USP14
SCHEMBL22310450 0.87 USP14 (0.39) ALDH1A1LMNAKMT2AMEN1USP14
SCHEMBL14319934 0.81 ALDH1A1 (0.46) ALDH1A1LMNAKMT2AMEN1USP14
SCHEMBL5068723 0.81 GAA (0.46) ALDH1A1LMNAKMT2AMEN1HTT
SCHEMBL2283208 0.79 ERN1 (0.44) ALDH1A1LMNAKMT2AMEN1USP14
SCHEMBL5066629 0.77 MEN1 (0.50) ALDH1A1LMNAKMT2AMEN1HTT
SCHEMBL18235059 0.75 NPSR1 (0.50) ALDH1A1LMNAKMT2AMEN1USP14
SCHEMBL14319942 0.72 MEN1 (0.46) ALDH1A1LMNAKMT2AMEN1HTT

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-1653947-B1 (4-HYDROXYPHENYL)-1H-INDOLE-3-CARBALDEHYDE OXIME DERIVATIVES AS ESTROGENIC AGENTS WYETH CORP (US) 2008-01-16 EP claimed