SCHEMBL5146944

SCHEMBL5146944

Nc1ccccc1-c1c(N)c(N)c(-c2ccccc2N)c(-c2ccccc2N)c1-c1ccccc1N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
HSD17B10 Q99714 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.47
ALOX15 P16050 2/20 0.47
CYP3A4 P08684 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
IDO1 P14902 4/20 0.43
ADORA2A P29274 3/20 0.43
PTPRC P08575 1/20 0.43
MAOA P21397 2/20 0.42
FGR P09769 1/20 0.42
PIM1 P11309 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CSNK1D P48730 1/20 0.42
DYRK1A Q13627 1/20 0.42
HIPK2 Q9H2X6 1/20 0.42
CSNK1G1 Q9HCP0 1/20 0.42
MAOB P27338 1/20 0.40

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
SCHEMBL6579157 0.92 ALDH1A1 (0.67) ALDH1A1L3MBTL1HSD17B10SMN1; SMN2ALOX15
SCHEMBL5517538 0.89 ALDH1A1 (0.63) ALDH1A1L3MBTL1HSD17B10SMN1; SMN2ALOX15
SCHEMBL7389021 0.80 ALDH1A1 (0.67) ALDH1A1L3MBTL1HSD17B10SMN1; SMN2ALOX15
SCHEMBL3174480 0.79 ALDH1A1 (0.60) ALDH1A1L3MBTL1HSD17B10SMN1; SMN2ALOX15
SCHEMBL169281 0.78 ALDH1A1 (1.00) ALDH1A1L3MBTL1HSD17B10SMN1; SMN2ALOX15
SCHEMBL31607672 0.78 ALDH1A1 (1.00) ALDH1A1L3MBTL1HSD17B10SMN1; SMN2ALOX15
SCHEMBL4798865 0.78 ALDH1A1 (0.63) ALDH1A1L3MBTL1HSD17B10SMN1; SMN2ALOX15
SCHEMBL3714036 0.78 ALDH1A1 (0.72) ALDH1A1L3MBTL1HSD17B10SMN1; SMN2ALOX15
SCHEMBL2550937 0.77 ALDH1A1 (0.45) ALDH1A1L3MBTL1HSD17B10SMN1; SMN2ALOX15
SCHEMBL6859311 0.77 ALDH1A1 (0.45) ALDH1A1L3MBTL1HSD17B10SMN1; SMN2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050118381-A1 Diimonium salt mixtures, aminium salts mixtures and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2005-06-02 US claimed
EP-1506956-A1 DIIMONIUM SALT MIXTURES, AMINIUM SALTS MIXTURES AND USE THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2005-02-16 EP claimed
EP-1506956-A4 DIIMONIUM SALT MIXTURES, AMINIUM SALTS MIXTURES AND USE THEREOF NIPPON KAYAKU KK (JP) 2007-07-18 EP disclosed
CN-1656059-A Diimonium salt mixtures, aminium salts mixtures and use thereof NIPPON KAYAKU KK (JP) 2005-08-17 CN disclosed
US-20050118381-A1 Diimonium salt mixtures, aminium salts mixtures and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2005-06-02 US disclosed
US-20050118381-A1 Diimonium salt mixtures, aminium salts mixtures and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2005-06-02 US disclosed
EP-1506956-A1 DIIMONIUM SALT MIXTURES, AMINIUM SALTS MIXTURES AND USE THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2005-02-16 EP disclosed
EP-1506956-A1 DIIMONIUM SALT MIXTURES, AMINIUM SALTS MIXTURES AND USE THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2005-02-16 EP disclosed
WO-2003097580-A1 DIIMONIUM SALT MIXTURES, AMINIUM SALTS MIXTURES AND USE THEREOF NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2003-11-27 WO disclosed