SCHEMBL18799544

SCHEMBL18799544

Cn1ccc2c(OC(F)(F)F)cccc2c1=O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.57
TP53 P04637 4/20 0.50
GAA P10253 1/20 0.49
POLB P06746 4/20 0.47
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.41
BRD4 O60885 2/20 0.40
GRM2 Q14416 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
RHEB Q15382 1/20 0.39
NR5A1 Q13285 1/20 0.39

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
SCHEMBL29613191 0.81 GAA (0.53) MAPTTP53GAAPOLBLMNA
SCHEMBL9394915 0.81 GAA (0.53) MAPTTP53GAAPOLBLMNA
SCHEMBL27250286 0.78 HDAC1 (0.40) MAPTPOLBLMNAKDM4E
SCHEMBL20292730 0.74 GAA (0.56) MAPTTP53GAALMNABRD4
SCHEMBL15957895 0.73 TP53 (0.55) MAPTTP53GAAPOLBLMNA
SCHEMBL13833580 0.72 GAA (0.57) MAPTTP53GAAPOLBLMNA
SCHEMBL23951522 0.71 GAA (0.53) MAPTTP53GAAPOLBLMNA
SCHEMBL18368374 0.71 GAA (0.53) MAPTTP53GAAPOLBLMNA
SCHEMBL15519326 0.70 GAA (0.56) MAPTTP53GAALMNABRD4
SCHEMBL5140683 0.70 GAA (0.56) MAPTTP53GAALMNABRD4

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
US-9636375-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-02 US disclosed