SCHEMBL18197816

SCHEMBL18197816

CC1=C(C)C(=O)N(Nc2cc(C(F)(F)I)c3ccc(Cl)c(Cl)c3n2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 9/20 0.46

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
SCHEMBL1592460 0.91 XPO1 (0.47) XPO1
SCHEMBL1592387 0.83 XPO1 (0.53) XPO1
SCHEMBL21556198 0.81 XPO1 (0.44) XPO1
SCHEMBL1592462 0.76 XPO1 (0.38) XPO1
SCHEMBL23872048 0.72 XPO1 (0.52) XPO1
SCHEMBL1592361 0.71 XPO1 (0.67) XPO1
SCHEMBL21556239 0.68 XPO1 (0.41) XPO1
SCHEMBL1592388 0.68 XPO1 (0.35) XPO1
SCHEMBL1592533 0.68 XPO1 (0.59) XPO1
SCHEMBL30176857 0.67 RORC (0.33)

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-3088397-A1 COMPOUNDS THAT ABROGATE THE CELL CYCLE G2 CHECKPOINT FOR USE IN THE TREATMENT OF CANCER Canbas Co. Ltd. (JP) 2016-11-02 EP disclosed