SCHEMBL28039561

SCHEMBL28039561

Cc1[c]ccc(OCc2cccnc2)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.49
DYRK1A Q13627 1/20 0.49
MAPK1 P28482 2/20 0.47
GPR132 Q9UNW8 7/20 0.45
LMNA P02545 1/20 0.44
RECQL P46063 1/20 0.44
F9 P00740 1/20 0.44
F10 P00742 1/20 0.44
HTR1A P08908 2/20 0.43
DRD2 P14416 2/20 0.43
GRM5 P41594 1/20 0.43
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42
IKBKB O14920 1/20 0.42
GRM2 Q14416 1/20 0.42

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
SCHEMBL920402 0.83 MAPK1 (0.47) MAOADYRK1AMAPK1GPR132F9
SCHEMBL7245835 0.82 NOS3 (0.46) MAOAMAPK1BRD4CREBBPIKBKB
SCHEMBL539028 0.82 MAOB (0.53) MAOAMAPK1LMNA
SCHEMBL864294 0.79 MAPK1 (0.52) MAOAMAPK1GPR132HTR1ADRD2
SCHEMBL28011530 0.78 MAPK1 (0.64) MAPK1GPR132LMNAF9F10
SCHEMBL13452125 0.78 MAPK1 (0.57) MAOADYRK1AMAPK1GPR132HTR1A
SCHEMBL28048524 0.76 MAPK1 (0.64) MAOADYRK1AMAPK1GPR132F9
SCHEMBL8124450 0.76 LMNA (0.61) LMNAGRM5
SCHEMBL171895 0.75 MAPK1 (0.56) MAOADYRK1AMAPK1GPR132GRM5
SCHEMBL791886 0.75 MAOB (0.66) MAPK1GPR132LMNAHTR1ADRD2

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-103459388-B Novel furanone derivative CARNA BIOSCIENCES, INC. (JP) 2015-11-25 CN disclosed