SCHEMBL4900747

SCHEMBL4900747

NC(=O)Oc1cc(C(F)(F)F)c[n+]([O-])c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.49
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PRSS1 P07477 2/20 0.35
ACR P10323 2/20 0.35
GPR84 Q9NQS5 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CES2 O00748 1/20 0.32
PLK1 P53350 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
MAOB P27338 2/20 0.31
GAA P10253 1/20 0.30
CA12 O43570 1/20 0.30

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
SCHEMBL27823092 0.71 MEN1 (0.66) KIF11MEN1KMT2APRSS1ACR
SCHEMBL29920925 0.71 MEN1 (0.66) KIF11MEN1KMT2APRSS1ACR
SCHEMBL5245392 0.71 KIF11 (0.53) KIF11MEN1KMT2APRSS1ACR
SCHEMBL4763588 0.70 KIF11 (0.51) KIF11MEN1KMT2AKDM4E
SCHEMBL4316832 0.70 KIF11 (0.89) KIF11MEN1KMT2APRSS1ACR
SCHEMBL2941623 0.69 CES2 (0.44) MEN1KMT2AKDM4ECES2
SCHEMBL28909073 0.68 KIF11 (0.86) KIF11MEN1KMT2APRSS1ACR
SCHEMBL28868760 0.68 KIF11 (0.49) KIF11MEN1KMT2APRSS1ACR
SCHEMBL4901404 0.68 KIF11 (0.45) KIF11MEN1KMT2APRSS1ACR
SCHEMBL14785293 0.67 KIF11 (0.47) KIF11MEN1KMT2APRSS1ACR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904498-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-04-02 EP disclosed
WO-2007004749-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 WO disclosed