SCHEMBL19632011

SCHEMBL19632011

C/C(=N\O)c1cc(C(O)(O)C(F)(F)F)ccn1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
TLR7 Q9NYK1 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
Hydrochloric Acid SCHEMBL19615617 0.98 KDM4E (0.44) KDM4ENOS3NOS2POLBKMT2A
Hydrochloric Acid SCHEMBL19615616 0.98 KDM4E (0.44) KDM4ENOS3NOS2POLBKMT2A
SCHEMBL8344177 0.85 KDM4E (0.49) KDM4ENOS3NOS2POLBKMT2A
SCHEMBL9243795 0.85 KDM4E (0.49) KDM4ENOS3NOS2POLBKMT2A
SCHEMBL8570227 0.85 KDM4E (0.49) KDM4ENOS3NOS2POLBKMT2A
SCHEMBL13593104 0.73 KDM4E (0.53) KDM4EPOLBKMT2A
SCHEMBL19631984 0.72 IDO1 (0.31)
SCHEMBL19632007 0.71 KDM4E (0.44) KDM4E
SCHEMBL6840488 0.71 KDM4E (0.55) KDM4ENOS3NOS2KMT2A
SCHEMBL8284487 0.71 KDM4E (0.55) KDM4EPOLBKMT2A

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
WO-2017198785-A1 OXIME DERIVATIVES USEFUL AS INHIBITORS OF HISTONE DEMETHYLASE KDM4C IEO - ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2017-11-23 WO disclosed