SCHEMBL5070748

SCHEMBL5070748

Cc1c(C=O)c2cc(F)ccc2n1-c1ccc(O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
MAPT P10636 4/20 0.42
KDM4E B2RXH2 4/20 0.42
GAA P10253 2/20 0.42
GFER P55789 1/20 0.42
USP14 P54578 1/20 0.42
HTT P42858 5/20 0.41
HPGD P15428 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
PKM P14618 2/20 0.41
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPK1 P28482 2/20 0.41
TSHR P16473 1/20 0.41
HIF1A Q16665 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL5069179 0.87 POLB (0.40) POLBMAPTKDM4EGAAGFER
SCHEMBL5070804 0.87 POLB (0.40) POLBMAPTKDM4EGAAGFER
SCHEMBL5069177 0.87 POLB (0.40) POLBMAPTKDM4EGAAGFER
SCHEMBL5069146 0.84 POLB (0.44) POLBMAPTKDM4EGAAGFER
SCHEMBL5066621 0.84 POLB (0.44) POLBMAPTKDM4EGAAGFER
SCHEMBL13051741 0.80 HTT (0.46) POLBMAPTKDM4EGAAGFER
SCHEMBL5068723 0.80 GAA (0.46) POLBMAPTKDM4EGAAGFER
SCHEMBL5066571 0.79 KMT2A (0.64) MAPTKDM4EHTTHPGDSMN1; SMN2
SCHEMBL13051739 0.79 HTT (0.66) POLBMAPTKDM4EGAAGFER
SCHEMBL2285069 0.78 ERN1 (0.43)

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