SCHEMBL10174724

SCHEMBL10174724

COc1nc(C)nc(Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(O)c23)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.43
NT5E P21589 1/20 0.41
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
ENPP2 Q13822 1/20 0.36
PRMT1 Q99873 2/20 0.36
FUT8 Q9BYC5 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
KMT2A Q03164 1/20 0.34
PTK2 Q05397 1/20 0.34
NSD2 O96028 2/20 0.33
DUSP3 P51452 2/20 0.33
PTPN5 P54829 2/20 0.33

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
SCHEMBL7888572 0.87 FUT8 (0.44) APEX1NT5ECA1CA2CA9
SCHEMBL19004055 0.83 APEX1 (0.44) APEX1NT5ECA1CA2CA9
SCHEMBL16661419 0.83 NPC1 (0.44) APEX1NT5ECA1CA2CA9
SCHEMBL10174707 0.81 PTK2 (0.40) CA1CA2CA9MEN1KMT2A
SCHEMBL10174718 0.77 SNCA (0.56) CA1CA2CA9ALDH1A1HSD17B10
SCHEMBL5702813 0.76 FUT8 (0.50) APEX1NT5ECA1CA2CA9
SCHEMBL9233802 0.76 FUT8 (0.53) APEX1NT5ECA1CA2CA9
SCHEMBL11230352 0.76 APEX1 (0.49) APEX1NT5EPRMT1FUT8ALDH1A1
SCHEMBL30528721 0.76 FUT8 (0.50) APEX1NT5ECA1CA2CA9
SCHEMBL11224616 0.76 APEX1 (0.49) APEX1NT5ECA1CA2CA9

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