SCHEMBL29359100

SCHEMBL29359100

CCCCOC(=O)N1CC/C(=C(\C)C(F)(F)F)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.39
ALDH1A1 P00352 3/20 0.37
HRH2 P25021 3/20 0.36
HRH1 P35367 3/20 0.36
CNR2 P34972 1/20 0.36
BCHE P06276 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
CHRM2 P08172 2/20 0.32
CHRM1 P11229 2/20 0.32
CACNA1B Q00975 2/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL29360309 0.79 SMN1; SMN2 (0.46) SMN1; SMN2LMNAPOLBPTGDR2ALDH1A1
SCHEMBL29358984 0.76 LMNA (0.46) SMN1; SMN2LMNAPOLBPTGDR2ALDH1A1
SCHEMBL22488568 0.76 ESR2 (0.47) SMN1; SMN2LMNAALDH1A1KDM4EHPGD
SCHEMBL7380124 0.76 SMN1; SMN2 (0.54) SMN1; SMN2LMNAPOLBPTGDR2ALDH1A1
SCHEMBL22468561 0.74 DPP8 (0.33) ESR1
SCHEMBL22468423 0.74 DPP8 (0.33) ESR1
SCHEMBL5814925 0.72 LMNA (0.61) SMN1; SMN2LMNAPOLBALDH1A1HRH2
SCHEMBL1444915 0.72 SMN1; SMN2 (0.61) SMN1; SMN2LMNAPOLBALDH1A1HRH2
SCHEMBL28484198 0.72 LMNA (0.49) SMN1; SMN2LMNAPOLBPTGDR2HRH2
SCHEMBL29358931 0.71 SMN1; SMN2 (0.49) SMN1; SMN2LMNAPOLBPTGDR2ALDH1A1

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
EP-3941922-A1 INHIBITORS OF RAF KINASES Kinnate Biopharma Inc. (US) 2022-01-26 EP disclosed