SCHEMBL5287385

SCHEMBL5287385

CC(C)N1C=CN(C)C1c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
TSHR P16473 2/20 0.40
POLB P06746 1/20 0.38
ABCB1 P08183 1/20 0.38
GAA P10253 2/20 0.37
ALDH1A1 P00352 3/20 0.36
RECQL P46063 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RIPK1 Q13546 1/20 0.34
HRH3 Q9Y5N1 3/20 0.33
KCNH2 Q12809 1/20 0.33
LMNA P02545 1/20 0.32
ALOX12 P18054 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL5329882 0.88 TSHR (0.44) MAPTTSHRPOLBABCB1GAA
Bicarbonate SCHEMBL28324530 0.82 POLB (0.47) MAPTTSHRPOLBGAAALDH1A1
SCHEMBL1830962 0.81 RECQL (0.44) MAPTTSHRPOLBGAAALDH1A1
Oxalic Acid SCHEMBL28323440 0.81 POLB (0.46) MAPTTSHRPOLBGAAALDH1A1
SCHEMBL5333137 0.78 MAPT (0.38) MAPTTSHRPOLBGAAALDH1A1
SCHEMBL5292198 0.78 DRD2 (0.38) MAPTTSHRPOLBABCB1GAA
SCHEMBL5288332 0.77 TSHR (0.37) MAPTTSHRPOLBABCB1GAA
SCHEMBL5304804 0.75 MEN1 (0.36) MAPTTSHRPOLBALDH1A1RECQL
SCHEMBL5301370 0.74 KCNH2 (0.35) MAPTTSHRGAAALDH1A1MEN1
SCHEMBL5328384 0.74 KMT2A (0.36) MAPTTSHRABCB1ALDH1A1MEN1

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