SCHEMBL5362074

SCHEMBL5362074

Cc1c(-c2ccc(C#N)cc2)cc(C=O)n1Cc1cc(C(F)(F)F)n[nH]1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.35
SDHB P21912 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
CHEK1 O14757 1/20 0.33
CYP11B1 P15538 1/20 0.33
CNR1 P21554 3/20 0.33
AR P10275 1/20 0.32
NOTUM Q6P988 1/20 0.31
GYS1 P13807 1/20 0.31
LRRK2 Q5S007 1/20 0.31
FASN P49327 1/20 0.31
TRPA1 O75762 1/20 0.30
SCN5A Q14524 1/20 0.30
SCN9A Q15858 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
SCHEMBL5357164 0.87 CYP11B2 (0.39) CYP11B2SDHBPTGDR2CCNCCDK8
SCHEMBL5367787 0.84 CYP11B2 (0.35) CYP11B2SDHBPTGDR2CCNCCDK8
SCHEMBL5366156 0.84 AR (0.37) CYP11B2SDHBPTGDR2CCNCCDK8
SCHEMBL5353540 0.80 CYP11B2 (0.38) CYP11B2SDHBPTGDR2CCNCCDK8
SCHEMBL5357234 0.78 CYP11B2 (0.37) CYP11B2SDHBPTGDR2CCNCCDK8
SCHEMBL5355359 0.72 CYP11B2 (0.37) CYP11B2CYP11B1AR
SCHEMBL5359725 0.72 AR (0.48) SDHBPTGDR2ARGYS1
SCHEMBL5358762 0.71 CYP11B2 (0.40) CYP11B2CCNCCDK8CHEK1AR
SCHEMBL13335441 0.70 AR (0.33) AR
SCHEMBL5360585 0.70 AR (0.42) SDHBAR

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