SCHEMBL27612792

SCHEMBL27612792

O/C=C(\F)Cc1cccc2ncccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
GLS O94925 2/20 0.41
CYP19A1 P11511 1/20 0.41
TBXAS1 P24557 1/20 0.41
MAPK8 P45983 4/20 0.40
MAPK9 P45984 4/20 0.40
MAPK10 P53779 4/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
POLB P06746 1/20 0.38
NSD2 O96028 1/20 0.38
ERN1 O75460 2/20 0.37
ALOX15 P16050 1/20 0.36

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
SCHEMBL28753662 0.89 LOXL2 (0.51) KDM4EMAPTCYP19A1ALDH1A1LMNA
SCHEMBL27612934 0.77 MMP2 (0.44) KDM4EMAPTALDH1A1LMNAHTT
SCHEMBL28200282 0.76 MEN1 (0.50) KDM4EMAPTGLSCYP19A1TBXAS1
SCHEMBL3136413 0.75 KDM4E (0.56) KDM4EMAPTGLSCYP19A1TBXAS1
SCHEMBL3720399 0.75 KDM4E (0.59) KDM4EMAPTGLSCYP19A1TBXAS1
SCHEMBL3783847 0.73 GLS (0.49) KDM4EMAPTGLSCYP19A1TBXAS1
Hydrochloric Acid SCHEMBL3712126 0.73 KDM4E (0.57) KDM4EMAPTGLSCYP19A1TBXAS1
SCHEMBL27594426 0.73 MAPT (0.45) KDM4EMAPTGLSCYP19A1TBXAS1
SCHEMBL21860417 0.71 MEN1 (0.43) KDM4EMAPTGLSCYP19A1TBXAS1
SCHEMBL27536668 0.70 MAPT (0.50) KDM4EMAPTGLSCYP19A1TBXAS1

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