SCHEMBL9290306

SCHEMBL9290306

C=Cc1cc2c3c(cccc3c1)C(=O)N2c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE6D O43924 1/20 0.45
HTR1A P08908 2/20 0.44
DRD2 P14416 2/20 0.44
HTR2A P28223 2/20 0.44
HTR7 P34969 2/20 0.44
HTR6 P50406 2/20 0.44
NR1H3 Q13133 1/20 0.42
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GALR3 O60755 1/20 0.38
HTR4 Q13639 1/20 0.38
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 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
SCHEMBL12561287 0.89 PDE6D (0.46) PDE6DHTR1ADRD2HTR2AHTR7
SCHEMBL9290293 0.85 PDE6D (0.55) PDE6DALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL9290289 0.82 PDE6D (0.65) PDE6DHTR1ADRD2HTR2AHTR7
SCHEMBL9290298 0.81 PDE6D (0.44) PDE6DALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL9290294 0.81 KMT2A (0.59) PDE6DHTR1ADRD2HTR2AHTR7
SCHEMBL9290364 0.80 PDE6D (0.50) PDE6DALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL12561292 0.76 PDE6D (0.41) PDE6DALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL9290305 0.74 HPGD (0.43) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9290446 0.73 PDE6D (0.56) PDE6DHTR1ADRD2HTR2AHTR7
SCHEMBL12561289 0.73 PDE6D (0.56) PDE6DALDH1A1KDM4EHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2458941-A1 OPTICAL FILTER Adeka Corporation (JP) 2012-05-30 EP disclosed