SCHEMBL3397167

SCHEMBL3397167

Cc1cc(C#N)ccc1-c1ccnc(N(C)c2cc(-c3cc(Cl)ccc3Cl)[nH]n2)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.42
EGLN2 Q96KS0 3/20 0.33
S1PR1 P21453 1/20 0.33
EIF4E P06730 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
JAK2 O60674 1/20 0.31
DRD1 P21728 1/20 0.31
SCN9A Q15858 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
LRRK2 Q5S007 3/20 0.30
PTGDR2 Q9Y5Y4 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
SCHEMBL3397038 0.86 KCNH2 (0.42) KCNH2EGLN2EIF4EDRD1EGLN1
SCHEMBL3399143 0.85 KCNH2 (0.41) KCNH2EGLN2S1PR1MEN1KMT2A
SCHEMBL3432960 0.84 KCNH2 (0.43) KCNH2EGLN2DRD1LRRK2
Hydrochloric Acid SCHEMBL3432843 0.84 KCNH2 (0.42) KCNH2EGLN2DRD1LRRK2
SCHEMBL3394274 0.82 KCNH2 (0.43) KCNH2EGLN2S1PR1MEN1KMT2A
SCHEMBL3396008 0.82 TNIK (0.43) KCNH2EGLN2S1PR1DRD1EGLN1
SCHEMBL3426389 0.82 KCNH2 (0.43) KCNH2EGLN2S1PR1MEN1KMT2A
SCHEMBL3397575 0.82 KCNH2 (0.43) KCNH2EGLN2S1PR1EIF4EDRD1
SCHEMBL3392062 0.81 KCNH2 (0.54) KCNH2EGLN2LRRK2
SCHEMBL3398332 0.81 KCNH2 (0.41) KCNH2EGLN2S1PR1DRD1

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-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed