SCHEMBL3395524

SCHEMBL3395524

Cc1cc(C#N)ccc1-c1ccnc(N(C)c2cc(-c3ccc(Br)o3)[nH]n2)c1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.39
EGLN2 Q96KS0 2/20 0.33
S1PR1 P21453 1/20 0.33
DRD1 P21728 1/20 0.31

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
SCHEMBL3432960 0.84 KCNH2 (0.43) KCNH2EGLN2DRD1
Hydrochloric Acid SCHEMBL3432843 0.83 KCNH2 (0.42) KCNH2EGLN2DRD1
SCHEMBL3398332 0.82 KCNH2 (0.41) KCNH2EGLN2S1PR1DRD1
SCHEMBL3426389 0.81 KCNH2 (0.43) KCNH2EGLN2S1PR1DRD1
SCHEMBL3396008 0.81 TNIK (0.43) KCNH2EGLN2S1PR1DRD1
SCHEMBL3392062 0.80 KCNH2 (0.54) KCNH2EGLN2
SCHEMBL3434735 0.80 KCNH2 (0.40) KCNH2EGLN2DRD1
SCHEMBL3397454 0.80 OXTR (0.31) S1PR1
SCHEMBL3434686 0.80 KCNH2 (0.44) KCNH2
SCHEMBL3394274 0.80 KCNH2 (0.43) KCNH2EGLN2S1PR1

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