SCHEMBL4720174

SCHEMBL4720174

COc1cc(OC)cc(-c2nn(-c3cc(N4CCC(F)(F)C4)ccc3C(F)(F)F)c(=O)c3c2CCN3CC(N)=O)c1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.36
MAPT P10636 1/20 0.31
IDH1 O75874 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
SCHEMBL4763492 0.91 F10 (0.34) F10MAPT
SCHEMBL4719098 0.91 JAK2 (0.31)
SCHEMBL4722372 0.90 F10 (0.38) F10MAPT
SCHEMBL4720841 0.89 F10 (0.35) F10IDH1
SCHEMBL4723789 0.88 F10 (0.36) F10
SCHEMBL4723793 0.88 F10 (0.36) F10
SCHEMBL4720196 0.84 TDP1 (0.38) F10MAPT
SCHEMBL14101709 0.83 F10 (0.39) F10MAPT
SCHEMBL14101712 0.83 F10 (0.39) F10MAPT
SCHEMBL4720130 0.83 F10 (0.34) 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