SCHEMBL4597097

SCHEMBL4597097

Cn1cc(C(=O)C2CC2c2ncc(Cl)cc2Cl)c(C(F)F)n1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
ACACB O00763 1/20 0.34
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
HPGD P15428 1/20 0.31
IRAK4 Q9NWZ3 3/20 0.31
RIPK1 Q13546 2/20 0.31
LMNA P02545 1/20 0.31
FPR2 P25090 1/20 0.31
PROKR1 Q8TCW9 1/20 0.31
ALOX5AP P20292 1/20 0.30
KDM4E B2RXH2 1/20 0.30
PDE10A Q9Y233 1/20 0.30
CRHR1 P34998 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
SCHEMBL1138375 0.83 ACACB (0.37) CYP11B1CYP11B2ACACBIRAK4CRHR1
SCHEMBL4487928 0.81 CYP11B1 (0.32) CYP11B1CYP11B2IRAK4
SCHEMBL1138599 0.79 IRAK4 (0.40) ACACBSMN1; SMN2IRAK4LMNA
SCHEMBL1138383 0.79 IRAK4 (0.40) ACACBSMN1; SMN2IRAK4LMNA
SCHEMBL1138382 0.79 IRAK4 (0.40) ACACBSMN1; SMN2IRAK4LMNA
SCHEMBL1138397 0.76 TDP1 (0.31) CYP11B1CYP11B2TDP1L3MBTL1
SCHEMBL1138399 0.71 CYP11B1 (0.32) CYP11B1CYP11B2
SCHEMBL18335068 0.71 ACACB (0.37) ACACBIRAK4
SCHEMBL1138198 0.70 FFAR1 (0.40) TDP1L3MBTL1SMN1; SMN2LMNA
SCHEMBL4597096 0.69

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-1885712-A1 NEW 2-PYRIDINYLCYCLOALKYLCARBOXAMIDE DERIVATIVES AS FUNGICIDES. BAYER CROPSCIENCE SA (FR) 2008-02-13 EP disclosed
WO-2006122955-A1 NEW 2-PYRIDINYLCYCLOALKYLCARBOXAMIDE DERIVATIVES AS FUNGICIDES. BAYER CROPSCIENCE SA (FR) 2006-11-23 WO disclosed