SCHEMBL16649704

SCHEMBL16649704

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 9/20 0.47
▸ APP P05067 2/20 0.38
▸ NR3C2 P08235 1/20 0.36
▸ P2RX7 Q99572 1/20 0.35
▸ KDR P35968 1/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ KCNQ3 O43525 1/20 0.34
▸ KCNQ2 O43526 1/20 0.34
▸ KCNE1 P15382 1/20 0.34
▸ KCNQ1 P51787 1/20 0.34
▸ NAMPT P43490 1/20 0.34

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) KIF11APPKDM1A
SCHEMBL16649936 0.80 KIF11 (0.47) KIF11APPNR3C2P2RX7KDM1A
SCHEMBL16649910 0.77 KIF11 (0.47) KIF11APPKDM1A
SCHEMBL3182714 0.77 KIF11 (0.51) KIF11KDRKDM1AKCNQ3KCNQ2
SCHEMBL12498442 0.77 IDO1 (0.41) KDM4EALDH1A1
SCHEMBL27642819 0.73 KIF11 (0.54) KIF11KDM1A
SCHEMBL9903507 0.73 MAOB (0.45) KDM4E
SCHEMBL48409 0.72 KIF11 (0.73) KIF11KDM1AKDM4EALDH1A1
SCHEMBL29438427 0.72 KIF11 (0.73) KIF11KDM1AKDM4EALDH1A1
SCHEMBL13358948 0.72 NR3C2 (0.40) KIF11APPNR3C2

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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