SCHEMBL4742165

SCHEMBL4742165

COC(=O)c1nn(-c2ccccc2)c(O)c1N=Nc1c(C#N)cnn1-c1ncccn1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 3/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
MAPT P10636 2/20 0.36
CYP3A4 P08684 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PTGS1 P23219 2/20 0.36
PTGS2 P35354 2/20 0.36
CYP1A2 P05177 1/20 0.36
XDH P47989 1/20 0.35
TP53 P04637 1/20 0.35
KDM4E B2RXH2 3/20 0.35
GFER P55789 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DPP4 P27487 1/20 0.34

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
SCHEMBL4742166 0.88 KMT2A (0.37) SMN1; SMN2ALDH1A1NPSR1PTGS1PTGS2
SCHEMBL4742164 0.84 PTGS1 (0.38) SMN1; SMN2CYP2C9CYP2C19MAPTCYP3A4
SCHEMBL4742162 0.83 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1CYP2C9CYP2C19PTGS1
SCHEMBL4742204 0.82 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1CYP2C9CYP2C19NPSR1
SCHEMBL4742195 0.80 ABCG2 (0.36) SMN1; SMN2CYP2C9CYP2C19MAPTCYP3A4
SCHEMBL14233098 0.78 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1PTGS1PTGS2XDH
SCHEMBL4742172 0.77 PTGS1 (0.36) SMN1; SMN2ALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL4742576 0.76 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1MAPTPTGS1PTGS2
SCHEMBL1085638 0.76 MEN1 (0.40) SMN1; SMN2ALDH1A1MAPTNPSR1CYP1A2
SCHEMBL4743196 0.76 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1PTGS1PTGS2XDH

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