SCHEMBL27612871

SCHEMBL27612871

O/C=C/Cc1cnn(-c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
DRD4 P21917 9/20 0.49
DRD2 P14416 7/20 0.49
DRD3 P35462 7/20 0.49
RAB9A P51151 4/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
POLB P06746 1/20 0.47
NR4A1 P22736 1/20 0.47
MPI P34949 1/20 0.47
RECQL P46063 1/20 0.47
ESR2 Q92731 1/20 0.47
HPGDS O60760 1/20 0.46
ALKBH2 Q6NS38 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 3/20 0.44
CYP2C9 P11712 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
SCHEMBL16867190 0.81 DRD4 (0.53) GAADRD4DRD2DRD3RAB9A
SCHEMBL2412911 0.78 GAA (0.58) GAADRD4DRD2DRD3RAB9A
SCHEMBL28751299 0.75 MAPT (0.51) GAADRD4DRD2DRD3RAB9A
SCHEMBL16867189 0.75 GAA (0.44) GAADRD4DRD2DRD3RAB9A
SCHEMBL16867187 0.75 GAA (0.55) GAADRD4DRD2DRD3RAB9A
SCHEMBL9608917 0.74 DRD4 (0.55) GAADRD4DRD2DRD3RAB9A
SCHEMBL6852145 0.74 DRD4 (0.55) GAADRD4DRD2DRD3RAB9A
SCHEMBL2408942 0.74 DRD4 (0.55) GAADRD4DRD2DRD3RAB9A
SCHEMBL8276924 0.74 DRD4 (0.55) GAADRD4DRD2DRD3RAB9A
SCHEMBL27163243 0.74 DRD4 (0.55) GAADRD4DRD2DRD3RAB9A

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-1585775-A 6-O-acyl ketolide derivatives of erythromycine useful as antibacterials ORTHO MCNEIL PHARM INC (US) 2005-02-23 CN disclosed