SCHEMBL3364557

SCHEMBL3364557

Cc1cc(C#N)ccc1-c1nc(Cl)ncc1C#N

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
CYP11B2 P19099 6/20 0.41
CYP11B1 P15538 5/20 0.41
EGLN2 Q96KS0 6/20 0.40
PIN1 Q13526 1/20 0.39
S1PR1 P21453 1/20 0.37
SCN9A Q15858 2/20 0.36
HSP90AB1 P08238 2/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL3361910 0.87 CYP11B2 (0.42) CYP11B2CYP11B1EGLN2S1PR1SCN9A
SCHEMBL3361914 0.83 ADORA2A (0.51) CYP11B2CYP11B1EGLN2S1PR1SCN9A
SCHEMBL3399428 0.82 CYP11B1 (0.39) CYP11B2CYP11B1EGLN2
SCHEMBL30037562 0.77 PDK1 (0.41) CYP11B2CYP11B1EGLN2
SCHEMBL25552036 0.77 PDK1 (0.41) CYP11B2CYP11B1EGLN2
SCHEMBL3364321 0.74 EGLN2 (0.47) CYP11B2CYP11B1EGLN2S1PR1SCN9A
SCHEMBL3362493 0.74 EGLN2 (0.44) CYP11B2CYP11B1EGLN2S1PR1HSP90AB1
SCHEMBL17629890 0.72 CYP11B2 (0.41) CYP11B2CYP11B1EGLN2KCNH2
SCHEMBL17630059 0.72 EGLN2 (0.47) CYP11B2CYP11B1EGLN2SCN9AHSP90AB1
SCHEMBL18357080 0.72 KDR (0.53) CSNK1A1CLK4CYP11B2CYP11B1PIN1

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