SCHEMBL29358984

SCHEMBL29358984

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.39
GRM5 P41594 6/20 0.38
CYP3A4 P08684 4/20 0.38
CYP1A2 P05177 3/20 0.38
CACNA1C Q13936 1/20 0.38
SCN5A Q14524 1/20 0.38
HRH2 P25021 2/20 0.36
HRH1 P35367 2/20 0.36
CNR2 P34972 1/20 0.36
ATM Q13315 1/20 0.35
SMYD3 Q9H7B4 1/20 0.35
ESR1 P03372 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
TSHR P16473 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL29358931 0.82 SMN1; SMN2 (0.49) LMNAPOLBSMN1; SMN2PTGDR2GRM5
SCHEMBL29359100 0.76 SMN1; SMN2 (0.46) LMNAPOLBSMN1; SMN2PTGDR2HRH2
SCHEMBL22488309 0.76 ESR2 (0.47) LMNAPOLBSMN1; SMN2GRM5ALDH1A1
SCHEMBL7380124 0.76 SMN1; SMN2 (0.54) LMNAPOLBSMN1; SMN2PTGDR2HRH2
SCHEMBL7986424 0.75 LMNA (0.54) LMNAPOLBSMN1; SMN2GRM5CYP3A4
SCHEMBL3697057 0.73 LMNA (0.51) LMNAPOLBSMN1; SMN2GRM5CYP3A4
SCHEMBL1444915 0.72 SMN1; SMN2 (0.61) LMNAPOLBSMN1; SMN2HRH2HRH1
SCHEMBL5814925 0.72 LMNA (0.61) LMNAPOLBSMN1; SMN2CYP1A2HRH2
SCHEMBL4752592 0.72 SMN1; SMN2 (0.47) LMNAPOLBSMN1; SMN2PTGDR2GRM5
SCHEMBL23062908 0.72 LMNA (0.50) LMNAPOLBSMN1; SMN2GRM5CYP3A4

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