SCHEMBL5286113

SCHEMBL5286113

O=[N+]([O-])c1ccc(OCCOc2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.73
DRD4 P21917 1/20 0.73
DRD3 P35462 1/20 0.73
MAPT P10636 6/20 0.67
ALDH1A1 P00352 4/20 0.67
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
LMNA P02545 3/20 0.56
KCNH2 Q12809 1/20 0.55
PKM P14618 1/20 0.55
HTT P42858 1/20 0.54
GAA P10253 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54

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
SCHEMBL28180985 0.94 DRD2 (0.77) DRD2DRD4DRD3MAPTALDH1A1
SCHEMBL28181096 0.93 DRD2 (0.74) DRD2DRD4DRD3MAPTALDH1A1
SCHEMBL28180196 0.93 DRD2 (0.74) DRD2DRD4DRD3MAPTALDH1A1
SCHEMBL28180993 0.93 DRD2 (0.74) DRD2DRD4DRD3MAPTALDH1A1
SCHEMBL6228523 0.92 MAPT (0.65) DRD2DRD4DRD3MAPTALDH1A1
SCHEMBL8456712 0.86 ALDH1A1 (0.62) DRD2DRD4DRD3MAPTALDH1A1
SCHEMBL30719663 0.86 MAPT (0.59) DRD2DRD4DRD3MAPTALDH1A1
SCHEMBL13264901 0.86 ALDH1A1 (0.62) DRD2DRD4DRD3MAPTALDH1A1
SCHEMBL11292187 0.86 KCNH2 (0.61) DRD2DRD4DRD3MAPTALDH1A1
SCHEMBL9570575 0.86 DRD2 (0.65) DRD2DRD4DRD3MAPTALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006138653-A9 THERMAL RECORDING MATERIALS AND METHODS OF MAKING AND USING THE SAME NASHUA CORP (US) 2007-03-01 WO disclosed
US-20060293181-A1 Thermal recording materials and methods of making and using the same NASHUA CORPORATION 2006-12-28 US disclosed
WO-2006138653-A1 THERMAL RECORDING MATERIALS AND METHODS OF MAKING AND USING THE SAME NASHUA CORPORATION (US) 2006-12-28 WO disclosed
WO-2000076513-A1 CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-12-21 WO disclosed
US-RE36321-E INCLUDING DIARYL DIETHER COMPOUND KANSAKI PAPER MANUFACTURING CO., LTD. (JP) 1999-09-28 US disclosed
US-4531140-A Heat-sensitive recording material Kansaki Paper Manufacturing Co. Ltd. (JP) 1985-07-23 US disclosed
US-4323682-A BLEACHING CATALYSTS CIBA GEIGY AG (CH) 1982-04-06 US disclosed
US-4202698-A DYE BLEACH CATALYSTS CIBA-GEIGY AG (CH) 1980-05-13 US disclosed