SCHEMBL5279705

SCHEMBL5279705

O=C(NC(=O)Oc1ccccc1)NC(=O)Oc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
MAPT P10636 3/20 0.52
RAB9A P51151 1/20 0.50
RAD51 Q06609 1/20 0.50
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
SLC1A3 P43003 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 2/20 0.47
THRB P10828 1/20 0.47
GFER P55789 1/20 0.47
GAA P10253 2/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL2551644 0.91 ALDH1A1 (0.55) ALDH1A1MAPTRAB9ARAD51NFKB1
SCHEMBL19436326 0.88 ALDH1A1 (0.50) ALDH1A1MAPTRAB9ARAD51NFKB1
SCHEMBL3074679 0.86 ALDH1A1 (0.52) ALDH1A1MAPTRAB9ARAD51NFKB1
SCHEMBL11656020 0.86 ALDH1A1 (0.57) ALDH1A1MAPTRAB9ARAD51MEN1
SCHEMBL23749590 0.83 ALDH1A1 (0.49) ALDH1A1MAPTRAB9ARAD51NFKB1
SCHEMBL11525910 0.83 ALDH1A1 (0.49) ALDH1A1MAPTRAB9ARAD51NFKB1
SCHEMBL11525903 0.83 ALDH1A1 (0.49) ALDH1A1MAPTRAB9ARAD51NFKB1
SCHEMBL13019613 0.83 ALDH1A1 (0.62) ALDH1A1MAPTRAB9ARAD51NFKB1
SCHEMBL16293318 0.83 ALDH1A1 (0.52) ALDH1A1MAPTRAB9ARAD51MEN1
SCHEMBL2186384 0.83 SLC1A3 (0.50) ALDH1A1MAPTRAB9ARAD51NFKB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1856036-B1 AN EFFICIENT METHOD FOR PREPARATION OF (S)-3-[(1-DIMETHYL AMINO)ETHYL]-PHENYL-N-ETHYL-N-METHYL-CARBAMATE EMCURE PHARMACEUTICALS LTD (IN) 2016-12-14 EP disclosed
EP-1856036-A1 AN EFFICIENT METHOD FOR PREPARATION OF (S)-3-[(1-DIMETHYL AMINO)ETHYL]-PHENYL-N-ETHYL-N-METHYL-CARBAMATE Emcure Pharmaceuticals Limited (IN) 2007-11-21 EP disclosed
WO-2006048720-A1 AN EFFICIENT METHOD FOR PREPARATION OF (S)-3-[(1-DIMETHYL AMINO)ETHYL]-PHENYL-N-ETHYL-N-METHYL-CARBAMATE EMCURE PHARMACEUTICALS LIMITED (IN) 2006-05-11 WO disclosed