SCHEMBL1754846

SCHEMBL1754846

NCCNc1nc(NCc2ccccc2)nc(Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FUT8 Q9BYC5 1/20 0.41
GBA1 P04062 1/20 0.41
KCNH3 Q9ULD8 2/20 0.38
SIRT5 Q9NXA8 1/20 0.37
HDAC1 Q13547 1/20 0.37
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA9 Q16790 4/20 0.36
APEX1 P27695 1/20 0.36
CA12 O43570 2/20 0.36
CA14 Q9ULX7 1/20 0.36
PDE5A O76074 1/20 0.35
MAPT P10636 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
HTR6 P50406 1/20 0.35
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL1754814 0.87 GBA1 (0.43) GBA1KCNH3SIRT5HDAC1CA1
SCHEMBL1754808 0.87 GBA1 (0.43) GBA1KCNH3SIRT5HDAC1CA1
SCHEMBL13062097 0.81 FUT8 (0.40) FUT8CA1CA2CA9APEX1
SCHEMBL1754899 0.80 CA9 (0.44) CA1CA2CA9CA12CA14
SCHEMBL16661407 0.78 RAB9A (0.46) FUT8CA1CA2CA9CA12
SCHEMBL1754841 0.77 CA9 (0.41) HDAC1CA1CA2CA9CA12
SCHEMBL15836276 0.77 CA1 (0.45) CA1CA2CA9APEX1CA12
SCHEMBL15488931 0.76 CA1 (0.47) GBA1KCNH3HDAC1CA1CA2
SCHEMBL8422554 0.75 CA9 (0.46) FUT8CA1CA2CA9APEX1
SCHEMBL13018041 0.75 TTR (0.46) CA1CA2CA9APEX1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2441806-B1 PORPHYRAZINE COLORING MATTER, INK COMPOSITION, RECORDING METHOD, AND COLORED OBJECT NIPPON KAYAKU KK (JP) 2017-09-06 EP disclosed
US-8657433-B2 Porphyrazine coloring matter, ink composition, recording method, and colored object NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2014-02-25 US disclosed
EP-2441806-A1 PORPHYRAZINE DYE, INK COMPOSITION, RECORDING METHOD, AND COLORED OBJECT Nippon Kayaku Kabushiki Kaisha (JP) 2012-04-18 EP disclosed