SCHEMBL5294690

SCHEMBL5294690

CCCCCCCCCCCCCCCCCN1C=CN(Cc2ccccc2)C1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.44
KCNH2 Q12809 1/20 0.44
CYP19A1 P11511 3/20 0.40
CNR2 P34972 3/20 0.40
CNR1 P21554 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
EEF2K O00418 2/20 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

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
SCHEMBL5329862 1.00 PDE2A (0.44) PDE2AKCNH2CYP19A1CNR2CNR1
SCHEMBL5301063 1.00 PDE2A (0.44) PDE2AKCNH2CYP19A1CNR2CNR1
SCHEMBL5303931 1.00 PDE2A (0.44) PDE2AKCNH2CYP19A1CNR2CNR1
SCHEMBL5298172 1.00 PDE2A (0.44) PDE2AKCNH2CYP19A1CNR2CNR1
SCHEMBL5817734 1.00 PDE2A (0.44) PDE2AKCNH2CYP19A1CNR2CNR1
SCHEMBL5294289 1.00 PDE2A (0.44) PDE2AKCNH2CYP19A1CNR2CNR1
SCHEMBL5813625 1.00 PDE2A (0.44) PDE2AKCNH2CYP19A1CNR2CNR1
SCHEMBL5812267 1.00 PDE2A (0.44) PDE2AKCNH2CYP19A1CNR2CNR1
SCHEMBL1895652 1.00 PDE2A (0.44) PDE2AKCNH2CYP19A1CNR2CNR1
SCHEMBL5302239 1.00 PDE2A (0.44) PDE2AKCNH2CYP19A1CNR2CNR1

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