SCHEMBL12792248

SCHEMBL12792248

COc1cc(N)c(C(=O)N2CCCC2)cc1O

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
GAA P10253 2/20 0.54
HPGD P15428 5/20 0.49
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
ALDH1A1 P00352 3/20 0.46
DUSP3 P51452 2/20 0.46
GFER P55789 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HSD11B1 P28845 1/20 0.46
PTPN7 P35236 1/20 0.44
PTPN5 P54829 1/20 0.44
PTPN11 Q06124 1/20 0.44
HSP90AA1 P07900 2/20 0.44
TRPV1 Q8NER1 1/20 0.44
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL12793408 0.99 KMT2A (0.57) MEN1KMT2AGAAHPGDLMNA
SCHEMBL12791638 0.99 KMT2A (0.57) MEN1KMT2AGAAHPGDLMNA
SCHEMBL12792637 0.87 ALDH1A1 (0.52) MEN1KMT2AGAATSHRHTT
SCHEMBL17779231 0.83 MEN1 (0.56) MEN1KMT2AGAAHPGDLMNA
SCHEMBL17779290 0.82 KMT2A (0.55) MEN1KMT2AGAAHPGDLMNA
SCHEMBL12082345 0.79 KMT2A (0.55) MEN1KMT2AGAAHPGDLMNA
SCHEMBL15652199 0.78 MEN1 (0.66) MEN1KMT2AGAAALDH1A1
SCHEMBL12082347 0.78 KMT2A (0.54) MEN1KMT2AGAAHPGDLMNA
SCHEMBL12082338 0.78 KMT2A (0.54) MEN1KMT2AGAAHPGDLMNA
SCHEMBL24745778 0.77 MEN1 (0.64) MEN1KMT2AGAAHPGDLMNA

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-2305633-A1 NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, USE OF THE CATECHOL DERIVATIVE AND USE OF THE PHARMACEUTICAL COMPOSITION Kissei Pharmaceutical Co., Ltd. (JP) 2011-04-06 EP disclosed