SCHEMBL10174712

SCHEMBL10174712

COc1nc(C)nc(Nc2cc(S(=O)(=O)O)c3ccccc3c2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 4/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
MAPT P10636 4/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 3/20 0.38
MAPK1 P28482 2/20 0.38
GAA P10253 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
IGF1R P08069 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 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
SCHEMBL10174707 0.83 PTK2 (0.40) PTK2CA1CA2CA9MEN1
SCHEMBL10174718 0.77 SNCA (0.56) CA1CA2CA9MAPTHTT
SCHEMBL10174701 0.77 MAPT (0.48) CA1CA2CA9MAPTHTT
SCHEMBL23879664 0.75 CA1 (0.48) CA1CA2CA9MAPTHTT
SCHEMBL15255508 0.73 RAB9A (0.43) CA1CA2CA9MAPTLMNA
SCHEMBL11130120 0.72 SNCA (0.55) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL2205677 0.71 CA1 (0.46) CA1CA2CA9MAPTHTT
SCHEMBL31310170 0.71 CA1 (0.46) CA1CA2CA9MAPTHTT
SCHEMBL8649081 0.71 CA1 (0.46) CA1CA2CA9MAPTHTT
SCHEMBL30855382 0.71 CA1 (0.46) 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