SCHEMBL2348458

SCHEMBL2348458

Cc1ccncc1-c1c(Cl)c(C#N)c2n1CCCC2.Cc1ccncc1-c1cc(C#N)c2n1CCCC2.Cc1ccncc1-c1cc(C(N)=O)c2n1CCCC2

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.33
KDM1A O60341 7/20 0.32
SIRT3 Q9NTG7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP11B1 P15538 1/20 0.31
MAP4K1 Q92918 1/20 0.31
PTGS2 P35354 2/20 0.31
MAP3K14 Q99558 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
SCHEMBL2157173 0.82 ABCC1 (0.37) CYP11B2ALDH1A1MAPK1CYP11B1MAP4K1
SCHEMBL2158167 0.82 SIRT3 (0.46) CYP11B2SIRT3TDP1CYP11B1
SCHEMBL2157447 0.80 CYP11B2 (0.43) CYP11B2ALDH1A1CYP11B1MAP4K1
SCHEMBL2157416 0.74 CYP11B2 (0.41) CYP11B2SIRT3TDP1ALDH1A1CYP11B1
SCHEMBL7946362 0.66 CDC7 (0.50) CYP11B2
SCHEMBL2158205 0.65 KDM4E (0.45) CYP11B2ALDH1A1CYP11B1PTGS2
SCHEMBL7957597 0.65 HPGD (0.37) ALDH1A1
SCHEMBL7954859 0.65 MKNK1 (0.43) ALDH1A1MAP3K14
SCHEMBL2157288 0.64 MKNK1 (0.46) CYP11B2
SCHEMBL4039386 0.64 GPR119 (0.45)

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
EP-2361253-A1 COMPOUNDS Selcia Limited (GB) 2011-08-31 EP claimed
WO-2010029364-A1 COMPOUNDS SELCIA LIMITED (GB) 2010-03-18 WO claimed