SCHEMBL28856992

SCHEMBL28856992

O=Cc1cccc(C(=O)N2CCOCC2)c1Cl

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
GAA P10253 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ERN1 O75460 2/20 0.49
ALDH1A1 P00352 4/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 2/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
PHGDH O43175 1/20 0.48
HSP90AA1 P07900 1/20 0.47
LMNA P02545 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 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
SCHEMBL1662914 0.85 GAA (0.59) SMN1; SMN2GAAERN1ALDH1A1TP53
SCHEMBL29486100 0.79 GAA (0.52) SMN1; SMN2GAAKDM4EERN1ALDH1A1
SCHEMBL28746378 0.79 GAA (0.52) SMN1; SMN2GAAKDM4EERN1ALDH1A1
SCHEMBL15265342 0.77 KDM4E (0.65) SMN1; SMN2GAAKDM4EERN1ALDH1A1
SCHEMBL18299399 0.77 ERN1 (0.58) SMN1; SMN2KDM4EERN1TSHRMAPT
SCHEMBL7121916 0.76 SMN1; SMN2 (0.77) SMN1; SMN2GAAALDH1A1TP53TSHR
(2-Chlorophenyl)(Morpholino)Methanone SCHEMBL6938284 0.75 MGLL (0.68) SMN1; SMN2GAAKDM4EALDH1A1TSHR
SCHEMBL855339 0.74 POLB (0.60) SMN1; SMN2GAAKDM4EALDH1A1TSHR
SCHEMBL28941346 0.74 MAPT (0.54) SMN1; SMN2GAAKDM4ETSHRMAPT
SCHEMBL30073359 0.74 POLB (0.60) SMN1; SMN2GAAKDM4EALDH1A1TSHR

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
CN-107820494-A Nuclear receptor modulators 艾伯维公司 2018-03-20 CN disclosed