SCHEMBL365083

SCHEMBL365083

CCc1nc(CCOc2cc(OC(=O)N(C)C)cn3c2c(C(N)=O)c2ccccc23)cn1CC

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 4/20 0.32
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PLA2G1B P04054 1/20 0.30

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
SCHEMBL366625 0.93 NCEH1 (0.32) NCEH1KMT2ASMN1; SMN2
SCHEMBL366612 0.83 ACHE (0.38) NCEH1KMT2ASMN1; SMN2
SCHEMBL365084 0.82 KDM4E (0.32) KMT2A
SCHEMBL366374 0.81 ALDH1A1 (0.38) KMT2A
SCHEMBL365925 0.79 ACHE (0.42)
SCHEMBL365915 0.78 S1PR3 (0.37) KMT2ASMN1; SMN2
SCHEMBL366626 0.77 KDM4E (0.32) KMT2A
SCHEMBL365490 0.77 NCEH1 (0.39) NCEH1KMT2ASMN1; SMN2
SCHEMBL365216 0.77 ACHE (0.36) KMT2APLA2G1B
SCHEMBL365189 0.76 ACHE (0.37) NCEH1SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed