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SCHEMBL4742653

SCHEMBL4742653

[C-]#[N+]c1cnn(-c2nc(-n3ncc(C#N)c3N=Nc3c(O)n(-c4ccccc4)n(-c4ccccc4)c3=O)nc(-n3ncc(C#N)c3N=Nc3c(O)n(-c4ccccc4)n(-c4ccccc4)c3=O)n2)c1N=Nc1c(O)n(-c2ccccc2)n(-c2ccccc2)c1=O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ PTGS1 P23219 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ GFER P55789 1/20 0.31
▸ TP53 P04637 1/20 0.30
▸ MDM2 Q00987 1/20 0.30

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
SCHEMBL4742576 0.84 SMN1; SMN2 (0.36) SMN1; SMN2MAPTPTGS1PTGS2GFER
SCHEMBL4742643 0.81 SMN1; SMN2 (0.36) SMN1; SMN2MAPTPTGS1PTGS2GFER
SCHEMBL4742553 0.79 DPP4 (0.37) SMN1; SMN2MAPTPTGS1PTGS2GFER
SCHEMBL1613303 0.76 SMN1; SMN2 (0.41) SMN1; SMN2MAPTPTGS1PTGS2
SCHEMBL4772982 0.76 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL1613519 0.75 SMN1; SMN2 (0.44) SMN1; SMN2MAPTPTGS1PTGS2
SCHEMBL4742313 0.74 MEN1 (0.33) SMN1; SMN2MAPT
SCHEMBL10194305 0.73 SMN1; SMN2 (0.42) SMN1; SMN2MAPTPTGS1PTGS2
SCHEMBL10194308 0.71 SMN1; SMN2 (0.40) SMN1; SMN2MAPTPTGS1PTGS2
SCHEMBL10194306 0.71 SMN1; SMN2 (0.40) SMN1; SMN2MAPTPTGS1PTGS2

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-8177861-B2 AZO pigment, pigment dispersion containing the AZO pigment, and coloring composition FUJIFILM CORPORATION (JP) 2012-05-15 — — US disclosed
US-20110021764-A1 AZO PIGMENT, PIGMENT DISPERSION CONTAINING THE AZO PIGMENT, AND COLORING COMPOSITION FUJIFILM CORPORATION (JP) 2011-01-27 — — US disclosed