SCHEMBL28025233

SCHEMBL28025233

CC(=O)Oc1cnnc(C2CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.39
ALDH1A1 P00352 1/20 0.37
F2 P00734 1/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
MAPT P10636 3/20 0.36
LMNA P02545 3/20 0.34
CYP3A4 P08684 2/20 0.34
KMT2A Q03164 2/20 0.33
GLS O94925 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
KDM4E B2RXH2 3/20 0.32
MEN1 O00255 1/20 0.32
TTR P02766 1/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ACHE P22303 1/20 0.32
TRPC6 Q9Y210 3/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL25984970 0.75 HDAC4 (0.42) HDAC4GLSCYP11B1CYP11B2
SCHEMBL28053556 0.74 LMNA (0.41) HDAC4ALDH1A1F2GLAHPGD
SCHEMBL28024734 0.73 GLA (0.41) ALDH1A1F2GLAHPGDMAPT
SCHEMBL28025218 0.73 GLA (0.41) ALDH1A1F2GLAHPGDMAPT
SCHEMBL16094460 0.71 ATM (0.44) HDAC4ALDH1A1HPGDLMNACYP11B1
SCHEMBL28025226 0.69 ALDH1A1 (0.38) ALDH1A1F2GLAHPGDMAPT
SCHEMBL28025234 0.66 HDAC4 (0.43) HDAC4ALDH1A1HPGDMAPTLMNA
SCHEMBL27718082 0.66 MAPT (0.42) ALDH1A1F2GLAHPGDMAPT
SCHEMBL4443112 0.65 LMNA (0.55) ALDH1A1GLAMAPTLMNACYP3A4
SCHEMBL20674585 0.65 SMN1; SMN2 (0.40) HDAC4ALDH1A1MAPTKMT2AGLS

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-105143209-A Biaryl amide compounds as kinase inhibitors NOVARTIS AG 2015-12-09 CN disclosed