SCHEMBL10174707

SCHEMBL10174707

COc1nc(C)nc(Nc2cc(S(=O)(=O)O)cc3ccccc23)n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 4/20 0.40
CASP6 P55212 2/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CDC25B P30305 4/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
RHOA P61586 1/20 0.36
NSD2 O96028 1/20 0.36
DUSP3 P51452 1/20 0.36
PTPN5 P54829 1/20 0.36
CASP7 P55210 1/20 0.36
PTPN11 Q06124 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CDC25A P30304 1/20 0.35
CDC25C P30307 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
SCHEMBL10174712 0.83 PTK2 (0.43) PTK2CA1CA2CA9MEN1
SCHEMBL10174724 0.81 APEX1 (0.43) PTK2CASP6CA1CA2CA9
SCHEMBL10174718 0.76 SNCA (0.56) CASP6CA1CA2CA9MEN1
SCHEMBL10174701 0.76 MAPT (0.48) CA1CA2CA9MEN1KMT2A
SCHEMBL10168994 0.75 GAA (0.46) CASP6RHOA
SCHEMBL25385245 0.74 CASP6 (0.50) CASP6CA1CA2CA9CDC25B
SCHEMBL2112297 0.72 CASP6 (0.59) CASP6CDC25BMEN1KMT2ARXFP1
SCHEMBL19227146 0.71 CA1 (0.43) PTK2CA1CA2CA9NPC1
SCHEMBL16661407 0.70 RAB9A (0.46) CA1CA2CA9MEN1KMT2A
SCHEMBL14614602 0.68 CA1 (0.38) PTK2CASP6CA1CA2CA9

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