SCHEMBL4720841

SCHEMBL4720841

COc1cc(OC)cc(-c2nn(-c3cc(N4CCC(F)(F)C4)ccc3C(F)(F)F)c(=O)c3c2CCN3C(N)=O)c1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.35
IDH1 O75874 1/20 0.32
MGAT2 Q10469 1/20 0.31

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
SCHEMBL4721014 0.92 F10 (0.35) F10
SCHEMBL4720459 0.90 F10 (0.40) F10
SCHEMBL4720174 0.89 F10 (0.36) F10IDH1
SCHEMBL4724414 0.87 P2RX7 (0.35) F10
SCHEMBL4763492 0.87 F10 (0.34) F10
SCHEMBL4724420 0.87 P2RX7 (0.35) F10
SCHEMBL4721394 0.85 F10 (0.33) F10
SCHEMBL4722660 0.85 PDE4A (0.37) F10
SCHEMBL4724946 0.83 TDP1 (0.39) F10
SCHEMBL4722926 0.83 ITGB2 (0.37) F10

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-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed