SCHEMBL10174718

SCHEMBL10174718

COc1nc(C)nc(Nc2ccc3cc(S(=O)(=O)O)ccc3c2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.56
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA9 Q16790 3/20 0.53
MAPT P10636 4/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GAA P10253 1/20 0.44
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HPGD P15428 1/20 0.39
NSD2 O96028 1/20 0.39
DUSP3 P51452 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
SCHEMBL10174701 0.88 MAPT (0.48) SNCACA1CA2CA9MAPT
SCHEMBL10174724 0.77 APEX1 (0.43) SNCACA1CA2CA9GAA
SCHEMBL10174712 0.77 PTK2 (0.43) CA1CA2CA9MAPTHTT
SCHEMBL13545623 0.76 SNCA (0.51) SNCACA1CA2CA9HTT
SCHEMBL10174707 0.76 PTK2 (0.40) CA1CA2CA9MEN1KMT2A
SCHEMBL7890104 0.76 NSD2 (0.55) SNCACA1CA2CA9MAPT
SCHEMBL10455386 0.76 SNCA (0.72) SNCACA1CA2MAPTNPSR1
SCHEMBL7890204 0.75 PRMT1 (0.51) CA1CA2CA9MAPTHTT
SCHEMBL9009810 0.74 CA1 (0.59) SNCACA1CA2CA9MAPT
SCHEMBL9402372 0.74 PTK2 (0.49) CA1CA2CA9MAPTHTT

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
US-8535432-B2 Porphyrazine coloring matter, ink composition containing the same and colored product NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-09-17 US disclosed
US-20120013678-A1 Porphyrazine Coloring Matter, Ink Composition Containing The Same And Colored Product NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2012-01-19 US disclosed