SCHEMBL5367787

SCHEMBL5367787

Cc1cc(-c2ccc(C#N)cc2)c(C=O)n1Cc1cc(C(F)(F)F)n[nH]1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.35
SDHB P21912 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
PIK3R1 P27986 2/20 0.33
PIK3CA P42336 2/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
CHEK1 O14757 1/20 0.33
CNR1 P21554 3/20 0.33
CNR2 P34972 1/20 0.31
S1PR1 P21453 1/20 0.31
NOTUM Q6P988 1/20 0.31
GYS1 P13807 1/20 0.31
LRRK2 Q5S007 1/20 0.31
FASN P49327 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
SCHEMBL5357164 0.87 CYP11B2 (0.39) CYP11B2SDHBPTGDR2PIK3R1PIK3CA
SCHEMBL5353540 0.86 CYP11B2 (0.38) CYP11B2SDHBPTGDR2CCNCCDK8
SCHEMBL5362074 0.84 CYP11B2 (0.35) CYP11B2SDHBPTGDR2CCNCCDK8
SCHEMBL5357234 0.84 CYP11B2 (0.37) CYP11B2SDHBPTGDR2CCNCCDK8
SCHEMBL5366156 0.78 AR (0.37) CYP11B2SDHBPTGDR2CCNCCDK8
SCHEMBL5363431 0.75 PDPK1 (0.35) CYP11B2SDHBPTGDR2CNR1
SCHEMBL14347763 0.73 CYP11B2 (0.34) CYP11B2PIK3R1PIK3CACCNCCDK8
SCHEMBL5355359 0.72 CYP11B2 (0.37) CYP11B2
SCHEMBL13362142 0.72 CCNC (0.35) CYP11B2PIK3R1PIK3CACCNCCDK8
SCHEMBL5358762 0.71 CYP11B2 (0.40) CYP11B2PIK3R1PIK3CACCNCCDK8

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-2007145349-A2 SUBSTITUTED PYRROLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-12-21 WO disclosed