SCHEMBL28889573

SCHEMBL28889573

CCCCCCCCCCN1c2ccccc2Sc2cc(Br)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDF Q9HBH1 2/20 0.53
PIM1 P11309 2/20 0.52
KDM1A O60341 7/20 0.52
SLC22A1 O15245 1/20 0.50
PRNP P04156 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
ADRB2 P07550 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
HTR1A P08908 1/20 0.50
CHRM5 P08912 1/20 0.50
ADRA2A P08913 1/20 0.50
CYP2D6 P10635 1/20 0.50
CHRM1 P11229 1/20 0.50
DRD2 P14416 1/20 0.50
TSHR P16473 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
CHRM3 P20309 1/20 0.50

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
SCHEMBL28393566 1.00 PDF (0.53) PDFPIM1KDM1ASLC22A1PRNP
SCHEMBL28592747 1.00 PDF (0.53) PDFPIM1KDM1ASLC22A1PRNP
SCHEMBL28593684 1.00 PDF (0.53) PDFPIM1KDM1ASLC22A1PRNP
SCHEMBL17419212 0.94 KDM1A (0.58) PDFPIM1KDM1ASLC22A1PRNP
SCHEMBL801271 0.93 DRD2 (0.49) PDFPIM1KDM1ASLC22A1PRNP
SCHEMBL8739350 0.93 DRD2 (0.49) PDFPIM1KDM1ASLC22A1PRNP
SCHEMBL20288065 0.93 DRD2 (0.49) PDFPIM1KDM1ASLC22A1PRNP
SCHEMBL31069659 0.93 DRD2 (0.49) PDFPIM1KDM1ASLC22A1PRNP
SCHEMBL31069660 0.93 DRD2 (0.49) PDFPIM1KDM1ASLC22A1PRNP
SCHEMBL30501546 0.93 DRD2 (0.49) PDFPIM1KDM1ASLC22A1PRNP

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
CN-111187302-B High-efficiency bipyridyl ruthenium dye sensitizer as well as preparation method and application thereof 江苏理工学院 2022-11-11 CN disclosed
CN-111187302-A High-efficiency bipyridyl ruthenium dye sensitizer and preparation method and application thereof 江苏理工学院 2020-05-22 CN disclosed