SCHEMBL5304385

SCHEMBL5304385

CCCCCCCCCCCCCCN1C=CN(Cc2ccccc2)C1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.43
PDE2A O00408 2/20 0.40
CYP19A1 P11511 3/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
EEF2K O00418 3/20 0.38
EEF2 P13639 2/20 0.38
TLR8 Q9NR97 1/20 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
ABL1 P00519 1/20 0.37
RIN1 Q13671 1/20 0.37

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
SCHEMBL5304062 1.00 KCNH2 (0.43) KCNH2PDE2ACYP19A1ALDH1A1LMNA
SCHEMBL5300028 1.00 KCNH2 (0.43) KCNH2PDE2ACYP19A1ALDH1A1LMNA
SCHEMBL5810791 1.00 KCNH2 (0.43) KCNH2PDE2ACYP19A1ALDH1A1LMNA
SCHEMBL5818520 1.00 KCNH2 (0.43) KCNH2PDE2ACYP19A1ALDH1A1LMNA
SCHEMBL5305527 1.00 KCNH2 (0.43) KCNH2PDE2ACYP19A1ALDH1A1LMNA
SCHEMBL5819157 1.00 KCNH2 (0.43) KCNH2PDE2ACYP19A1ALDH1A1LMNA
SCHEMBL5813971 1.00 KCNH2 (0.43) KCNH2PDE2ACYP19A1ALDH1A1LMNA
SCHEMBL5288064 1.00 KCNH2 (0.43) KCNH2PDE2ACYP19A1ALDH1A1LMNA
SCHEMBL5822124 1.00 KCNH2 (0.43) KCNH2PDE2ACYP19A1ALDH1A1LMNA
SCHEMBL5298270 1.00 KCNH2 (0.43) KCNH2PDE2ACYP19A1ALDH1A1LMNA

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