SCHEMBL9324016

SCHEMBL9324016

N=C1NC(=N)c2c(OCC(F)(F)C(F)F)ccc(Br)c21

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.32
KMT2A Q03164 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
PAX8 Q06710 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL9324151 0.78 PDK2 (0.34) HTTKMT2AKDM4EMEN1MAPT
SCHEMBL18663479 0.69
SCHEMBL7762579 0.66 AAK1 (0.46) HTTKMT2AKDM4EMEN1MAPT
SCHEMBL850810 0.65 KMT2A (0.41) HTTKMT2AKDM4EMEN1MAPT
SCHEMBL2801730 0.64 NPSR1 (0.50) HTTKMT2AKDM4EMEN1MAPT
SCHEMBL7769868 0.62 HTT (0.47) HTTKMT2AKDM4EMEN1MAPT
SCHEMBL9323965 0.62 PDK2 (0.37) KMT2AKDM4EMEN1MAPTL3MBTL1
SCHEMBL850805 0.62 MEN1 (0.34) HTTKMT2AKDM4EMEN1MAPT
SCHEMBL2805750 0.61 MAPT (0.50) HTTKMT2AKDM4EMEN1MAPT
SCHEMBL17815773 0.61 SMN1; SMN2 (0.41) HTTKMT2AKDM4EMEN1MAPT

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-0623923-A1 Optical recording medium TOYO INK MANUFACTURING CO., LTD. (JP) 1994-11-09 EP disclosed
US-5348840-A Optical recording medium TOYO INK MANUFACTURING CO., LTD. (JP) 1994-09-20 US disclosed