SCHEMBL19781429

SCHEMBL19781429

CN(C)n1cc(C#N)cn1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
EGLN2 Q96KS0 3/20 0.34
CYP11B2 P19099 3/20 0.33
HDAC8 Q9BY41 1/20 0.31
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
APP P05067 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
SCHEMBL945086 0.73
SCHEMBL22056806 0.69
SCHEMBL8782252 0.68 PIK3CA (0.32) KDM4EALDH1A1
SCHEMBL31460015 0.68 SRPK2 (0.39)
SCHEMBL6966410 0.67
SCHEMBL6208487 0.67
SCHEMBL19992718 0.67
SCHEMBL22993177 0.67
SCHEMBL19725155 0.67
SCHEMBL10789578 0.67

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
WO-2018013615-A1 C7, C12, AND C16 SUBSTITUTED NEUROACTIVE STEROIDS AND THEIR METHODS OF USE SAGE THERAPEUTICS, INC. (US) 2018-01-18 WO disclosed