SCHEMBL27612944

SCHEMBL27612944

O/C=C(\F)Cc1ccc(-n2ccnc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.51
MKNK1 Q9BUB5 1/20 0.51
MKNK2 Q9HBH9 1/20 0.51
TBXAS1 P24557 2/20 0.49
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
NOTUM Q6P988 1/20 0.47
CYP3A4 P08684 4/20 0.46
BAZ2B Q9UIF8 1/20 0.45
MEN1 O00255 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
MAOB P27338 1/20 0.44
ADH5 P11766 1/20 0.43
WNT3A P56704 1/20 0.43
CYP2D6 P10635 2/20 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
SCHEMBL7434598 0.76 TBXAS1 (0.68) ENPP2MKNK1MKNK2TBXAS1LMNA
SCHEMBL10756712 0.76 CYP3A4 (0.56) ENPP2MKNK1MKNK2TBXAS1LMNA
SCHEMBL857216 0.75 ENPP2 (0.63) ENPP2MKNK1MKNK2TBXAS1LMNA
SCHEMBL22486535 0.75 LMNA (0.58) ENPP2MKNK1MKNK2TBXAS1LMNA
SCHEMBL27613141 0.75 ENPP2 (0.54) ENPP2MKNK1MKNK2TBXAS1LMNA
SCHEMBL7403488 0.75 CYP3A4 (0.64) ENPP2MKNK1MKNK2TBXAS1LMNA
SCHEMBL8401615 0.75 ENPP2 (0.54) ENPP2MKNK1MKNK2TBXAS1LMNA
SCHEMBL21791731 0.75 LMNA (0.62) ENPP2MKNK1MKNK2TBXAS1LMNA
SCHEMBL2532397 0.74 LMNA (0.78) ENPP2MKNK1MKNK2LMNAMAPT
SCHEMBL6850622 0.73 MAPT (0.53) ENPP2MKNK1MKNK2TBXAS1LMNA

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