SCHEMBL16649910

SCHEMBL16649910

NC(=O)OC[CH]c1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 9/20 0.47
▸ KDM1A O60341 1/20 0.34
▸ SLC7A5 Q01650 2/20 0.34
▸ PPARG P37231 1/20 0.34
▸ PPARD Q03181 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ PDE2A O00408 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ CYP11B1 P15538 2/20 0.33
▸ CYP11B2 P19099 2/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ APP P05067 1/20 0.33

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
SCHEMBL15157445 0.81 KIF11 (0.50) KIF11KDM1AFFAR1APP
SCHEMBL12498864 0.79 KCNA3 (0.37) PPARGPPARA
SCHEMBL28196304 0.77 KIF11 (0.49) KIF11KDM1ACYP11B1CYP11B2
SCHEMBL16649704 0.77 KIF11 (0.47) KIF11KDM1AAPP
SCHEMBL16649936 0.77 KIF11 (0.47) KIF11KDM1AAPP
SCHEMBL3182714 0.77 KIF11 (0.51) KIF11KDM1A
SCHEMBL16649545 0.77 TRPA1 (0.39) —
SCHEMBL27642819 0.73 KIF11 (0.54) KIF11KDM1ACYP11B1CYP11B2
SCHEMBL29438427 0.72 KIF11 (0.73) KIF11KDM1ACYP11B1CYP11B2
SCHEMBL48409 0.72 KIF11 (0.73) KIF11KDM1ACYP11B1CYP11B2

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-2681215-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-04-22 — — EP claimed
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