SCHEMBL27536668

SCHEMBL27536668

N=CCc1cccc2ncccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP19A1 P11511 1/20 0.46
TBXAS1 P24557 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.44
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
BLM P54132 1/20 0.40
HIF1A Q16665 1/20 0.40
NSD2 O96028 1/20 0.39
ERN1 O75460 1/20 0.39
NCF1 P14598 1/20 0.38

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
SCHEMBL6878679 0.83 MAPT (0.48) MAPTKDM4ECYP19A1TBXAS1LOXL2
SCHEMBL431328 0.83 MAPT (0.48) MAPTKDM4ECYP19A1TBXAS1LOXL2
SCHEMBL28879860 0.83 MAPT (0.48) MAPTKDM4ECYP19A1TBXAS1LOXL2
SCHEMBL29954736 0.83 MAPT (0.48) MAPTKDM4ECYP19A1TBXAS1LOXL2
SCHEMBL27594426 0.80 MAPT (0.45) MAPTKDM4ECYP19A1TBXAS1LOXL2
SCHEMBL3136413 0.78 KDM4E (0.56) MAPTKDM4ECYP19A1TBXAS1LOXL2
SCHEMBL5537149 0.77 CYP19A1 (0.54) MAPTKDM4ECYP19A1TBXAS1LOXL2
SCHEMBL1282250 0.76 MAPT (0.54) MAPTKDM4ECYP19A1TBXAS1LOXL2
SCHEMBL3817705 0.76 MAPT (0.54) MAPTKDM4ECYP19A1TBXAS1LOXL2
SCHEMBL6629717 0.76 MAPT (0.54) MAPTKDM4ECYP19A1TBXAS1LOXL2

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-1296486-A Glucocorticoid-selective anti-inflammatory agents ABBOTT LAB (US) 2001-05-23 CN claimed