SCHEMBL19972843

SCHEMBL19972843

CN1CC(C(=O)C(F)(F)F)=Nc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
CES1 P23141 1/20 0.36
HDAC6 Q9UBN7 6/20 0.33
HDAC1 Q13547 3/20 0.33
HDAC4 P56524 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC3 O15379 1/20 0.33
LMNA P02545 1/20 0.33
ACHE P22303 1/20 0.32
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
NOTUM Q6P988 1/20 0.30
NSD2 O96028 1/20 0.30
MLYCD O95822 1/20 0.30
RARB P10826 1/20 0.30
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 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
SCHEMBL28258527 0.73 CCR3 (0.32) NSD2
SCHEMBL28221393 0.69 NSD2 (0.38) MEN1KMT2ALMNAACHEDRD2
SCHEMBL28287776 0.68 LOX (0.33) MEN1KMT2ANSD2
SCHEMBL28198653 0.67 NSD2 (0.33) MEN1KMT2ANSD2
SCHEMBL28312051 0.65 SHMT2 (0.33) LMNANSD2
SCHEMBL28215922 0.63 KCNMA1 (0.42) HTTMEN1KMT2AACHEDRD2
SCHEMBL30129012 0.62 SMN1; SMN2 (0.35) MEN1KMT2A
SCHEMBL28176278 0.62 MAPT (0.49) HTTKMT2ALMNA
SCHEMBL14511098 0.62 NOS1 (0.47) MEN1KMT2ANOTUM
SCHEMBL32691835 0.61 NOS1 (0.37) HTTMEN1KMT2ALMNA

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-2018052725-A1 STABLE VIOLET-BLUE TO BLUE IMIDAZOLIUM COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2018-03-22 WO disclosed