SCHEMBL28248191

SCHEMBL28248191

[K]c1ccc2c(c1)CCN2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.59
DRD4 P21917 1/20 0.59
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALOX15 P16050 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
THRB P10828 1/20 0.41
CASP1 P29466 1/20 0.41
HTT P42858 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL28403784 0.77 DRD2 (0.63) DRD2DRD4ALDH1A1MAPTKDM4E
SCHEMBL29756191 0.77 DRD2 (0.63) DRD2DRD4ALDH1A1MAPTKDM4E
SCHEMBL1880170 0.74 DRD2 (0.59) DRD2DRD4ALDH1A1MAPTKDM4E
SCHEMBL177194 0.74 DRD2 (0.59) DRD2DRD4ALDH1A1MAPTKDM4E
SCHEMBL3365351 0.74 DRD2 (0.59) DRD2DRD4ALDH1A1MAPTKDM4E
SCHEMBL29642933 0.74 DRD2 (0.59) DRD2DRD4ALDH1A1MAPTKDM4E
SCHEMBL3279456 0.74 DRD2 (0.59) DRD2DRD4ALDH1A1MAPTKDM4E
SCHEMBL650280 0.74 DRD2 (0.59) DRD2DRD4ALDH1A1MAPTKDM4E
SCHEMBL12461 0.74 DRD2 (0.59) DRD2DRD4ALDH1A1MAPTKDM4E
SCHEMBL13945551 0.74 DRD2 (0.59) DRD2DRD4ALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108559300-A A kind of preparation of side's acid cyanines copper ion probe and detection method 燕山大学 2018-09-21 CN claimed
CN-108559300-A A kind of preparation of side's acid cyanines copper ion probe and detection method 燕山大学 2018-09-21 CN disclosed
CN-107955392-A Near-infrared amino cyanine dye with long-life triplet excited state and preparation method thereof 大连理工大学 2018-04-24 CN disclosed
CN-105111773-B Amino cyanine fluorescent dye and preparation method and application thereof 大连理工大学 2017-06-27 CN disclosed