SCHEMBL3397038

SCHEMBL3397038

Cc1cc(C#N)ccc1-c1ccnc(N(C)c2cc(-c3ccc(Cl)cn3)[nH]n2)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.42
GRM5 P41594 3/20 0.34
EGLN2 Q96KS0 2/20 0.33
OXTR P30559 1/20 0.32
TGFBR1 P36897 1/20 0.31
DRD1 P21728 1/20 0.31
CYP11B1 P15538 2/20 0.31
CYP11B2 P19099 2/20 0.31
EIF4E P06730 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
SLC22A12 Q96S37 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
SCHEMBL3434735 0.89 KCNH2 (0.40) KCNH2EGLN2OXTRTGFBR1DRD1
SCHEMBL3396132 0.89 KCNH2 (0.41) KCNH2GRM5EGLN2OXTRCYP11B1
SCHEMBL3397167 0.86 KCNH2 (0.42) KCNH2EGLN2DRD1EIF4EEGLN1
SCHEMBL3392062 0.86 KCNH2 (0.54) KCNH2GRM5EGLN2TGFBR1
SCHEMBL3397575 0.85 KCNH2 (0.43) KCNH2EGLN2OXTRTGFBR1DRD1
SCHEMBL3432960 0.84 KCNH2 (0.43) KCNH2EGLN2DRD1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL3432843 0.83 KCNH2 (0.42) KCNH2EGLN2DRD1CYP11B1CYP11B2
SCHEMBL3398420 0.82 KCNH2 (0.42) KCNH2EGLN2OXTRDRD1CYP11B1
SCHEMBL3434686 0.81 KCNH2 (0.44) KCNH2CYP11B1CYP11B2
SCHEMBL3426389 0.81 KCNH2 (0.43) KCNH2EGLN2DRD1CYP11B1CYP11B2

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