SCHEMBL5292833

SCHEMBL5292833

CCCc1[nH]cc[n+]1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 2/20 0.38
EEF2 P13639 2/20 0.38
MEN1 O00255 1/20 0.38
PLK4 O00444 1/20 0.38
JAK2 O60674 1/20 0.38
EGFR P00533 1/20 0.38
TYK2 P29597 1/20 0.38
FLT3 P36888 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
ITK Q08881 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
TP53 P04637 1/20 0.38
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HTT P42858 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
CHKA P35790 2/20 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
SCHEMBL5291960 0.88 EEF2K (0.47) EEF2KEEF2MEN1PLK4JAK2
Hydrochloric Acid SCHEMBL20191168 0.85 TP53 (0.43) EEF2KEEF2MEN1PLK4JAK2
SCHEMBL4049889 0.81 CALM1 (0.39) MEN1KMT2ACYP2D6CYP2C19LMNA
SCHEMBL5288967 0.78 MMP9 (0.39) EEF2KEEF2MEN1PLK4JAK2
SCHEMBL5305215 0.78 MMP9 (0.39) EEF2KEEF2MEN1PLK4JAK2
Hydrochloric Acid SCHEMBL28388643 0.78 KDM4E (0.37) MEN1KMT2ACYP2D6CYP2C19LMNA
SCHEMBL3403215 0.76 KDM4E (0.43) MEN1KMT2ATP53CYP2D6CYP2C19
SCHEMBL4226465 0.76
SCHEMBL1704010 0.75 CA1 (0.35) MEN1KMT2ACYP2D6CYP2C19LMNA
SCHEMBL5711144 0.75 KDM4E (0.41) EEF2KEEF2MEN1PLK4JAK2

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-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 WO disclosed