SCHEMBL10174729

SCHEMBL10174729

Cc1nc(O)nc(Nc2cccc(S(=O)(=O)O)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNNI3K Q59H18 3/20 0.46
SNCA P37840 2/20 0.43
SYK P43405 3/20 0.43
LYN P07948 1/20 0.43
TXK P42681 1/20 0.43
NSD2 O96028 1/20 0.41
DUSP3 P51452 1/20 0.41
PTPN5 P54829 1/20 0.41
CASP7 P55210 1/20 0.41
CASP6 P55212 1/20 0.41
PTPN11 Q06124 1/20 0.41
BRD4 O60885 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
PTK2 Q05397 1/20 0.40
CHAT P28329 2/20 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
SCHEMBL14445562 0.86 IDH2 (0.49) TNNI3KSNCASYKNSD2DUSP3
SCHEMBL12589915 0.85 NFKB1 (0.54) TNNI3KSNCASYKCA12CA1
SCHEMBL10490862 0.84 SNCA (0.54) TNNI3KSNCASYKNSD2DUSP3
SCHEMBL14817410 0.84 CA12 (0.44) TNNI3KSNCASYKLYNTXK
SCHEMBL11224886 0.84 SNCA (0.43) TNNI3KSNCASYKLYNTXK
SCHEMBL16213857 0.83 PDE4B (0.43) TNNI3KSNCANSD2DUSP3PTPN5
SCHEMBL10174701 0.83 MAPT (0.48) TNNI3KSNCASYKBRD4CA1
SCHEMBL15984408 0.81 CA1 (0.52) TNNI3KCA1CA2CA9MAPT
SCHEMBL10168989 0.80 PDE5A (0.46) TNNI3KSNCACA1CA2CA9
SCHEMBL10168983 0.80 PDE5A (0.53) MAPT

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