SCHEMBL5301714

SCHEMBL5301714

CCCCCCCCCCCCCCCCCCN1C=CN(Cc2ccccc2)C1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.42
EEF2K O00418 3/20 0.40
EEF2 P13639 2/20 0.40
TLR8 Q9NR97 1/20 0.40
MEN1 O00255 1/20 0.40
PLK4 O00444 1/20 0.40
JAK2 O60674 1/20 0.40
EGFR P00533 1/20 0.40
TYK2 P29597 1/20 0.40
FLT3 P36888 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
ITK Q08881 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
PDE2A O00408 2/20 0.40
CYP19A1 P11511 3/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36

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
SCHEMBL5818079 1.00 KCNH2 (0.42) KCNH2EEF2KEEF2TLR8MEN1
SCHEMBL5293806 1.00 KCNH2 (0.42) KCNH2EEF2KEEF2TLR8MEN1
SCHEMBL5300652 1.00 KCNH2 (0.42) KCNH2EEF2KEEF2TLR8MEN1
SCHEMBL5288529 1.00 KCNH2 (0.42) KCNH2EEF2KEEF2TLR8MEN1
SCHEMBL5298334 1.00 KCNH2 (0.42) KCNH2EEF2KEEF2TLR8MEN1
SCHEMBL5816454 1.00 KCNH2 (0.42) KCNH2EEF2KEEF2TLR8MEN1
SCHEMBL5288362 1.00 KCNH2 (0.42) KCNH2EEF2KEEF2TLR8MEN1
SCHEMBL5816698 1.00 KCNH2 (0.42) KCNH2EEF2KEEF2TLR8MEN1
SCHEMBL5296704 1.00 KCNH2 (0.42) KCNH2EEF2KEEF2TLR8MEN1
SCHEMBL5294741 1.00 KCNH2 (0.42) KCNH2EEF2KEEF2TLR8MEN1

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
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 WO disclosed
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 WO disclosed