SCHEMBL10174701

SCHEMBL10174701

COc1nc(C)nc(Nc2cccc(S(=O)(=O)O)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
LMNA P02545 2/20 0.48
MAPK1 P28482 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
MEN1 O00255 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
BRD4 O60885 2/20 0.45
TNNI3K Q59H18 2/20 0.44
CDK9 P50750 2/20 0.43
AURKA O14965 1/20 0.43
MAP4K4 O95819 1/20 0.43
ABL1 P00519 1/20 0.43
LCK P06239 1/20 0.43
MET P08581 1/20 0.43
PDGFRB P09619 1/20 0.43

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
SCHEMBL10174718 0.88 SNCA (0.56) MAPTLMNAMAPK1CA1CA2
SCHEMBL9402372 0.86 PTK2 (0.49) MAPTLMNAMAPK1CA1CA2
SCHEMBL10174729 0.83 TNNI3K (0.46) MAPTCA1CA2CA9BRD4
SCHEMBL15315669 0.82 PDE5A (0.52) MAPTLMNAMAPK1CA1CA2
SCHEMBL15316268 0.82 KCNH3 (0.46) MAPTLMNAMAPK1CA1CA2
SCHEMBL12589915 0.82 NFKB1 (0.54) MAPTMAPK1CA1CA2CA9
SCHEMBL10490862 0.81 SNCA (0.54) CA1CA2CA9TSHRHSD17B10
SCHEMBL15316270 0.80 ALDH1A1 (0.45) MAPTLMNAMAPK1CA1CA2
SCHEMBL10174712 0.77 PTK2 (0.43) MAPTLMNAMAPK1CA1CA2
SCHEMBL10168983 0.77 PDE5A (0.53) MAPTLMNAMAPK1HTTNPSR1

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