SCHEMBL19981487

SCHEMBL19981487

CCCCCN1CCN(C(O)C(F)(F)F)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
HTR1A P08908 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ACHE P22303 1/20 0.35
ALDH1A1 P00352 4/20 0.35
EEF2K O00418 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH2 P05091 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
SCHEMBL19949917 0.81 KDM4E (0.51) KDM4ELMNAHTTHTR1AMEN1
SCHEMBL19949787 0.75 BRD4 (0.43) KDM4ELMNAHTR1AACHEALDH1A1
SCHEMBL30688736 0.75 BRD4 (0.43) KDM4ELMNAHTR1AACHEALDH1A1
SCHEMBL28238080 0.69 ALDH1A1 (0.50) KDM4ELMNAHTTHTR1AMEN1
SCHEMBL7065366 0.69 ALDH1A1 (0.50) KDM4ELMNAHTTHTR1AMEN1
Bromide SCHEMBL28537895 0.68 ALDH1A1 (0.53) KDM4ELMNAHTTHTR1AMEN1
Bromide SCHEMBL11425322 0.68 ALDH1A1 (0.53) KDM4ELMNAHTTHTR1AMEN1
SCHEMBL29531557 0.67 ALDH1A1 (0.70) KDM4ELMNAHTR1AMEN1KMT2A
SCHEMBL6698921 0.67 ALDH1A1 (0.70) KDM4ELMNAHTR1AMEN1KMT2A
SCHEMBL26092407 0.67 ALDH1A1 (0.35) KDM4ELMNAMEN1KMT2AALDH1A1

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