SCHEMBL4742162

SCHEMBL4742162

N#Cc1cnn(-c2ncccn2)c1N=Nc1c(C#N)nn(-c2ccccc2)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
PTGS1 P23219 2/20 0.35
PTGS2 P35354 2/20 0.35
BCAT1 P54687 2/20 0.34
DPP4 P27487 1/20 0.34
ALDH1A1 P00352 4/20 0.32
TSHR P16473 2/20 0.32
GFER P55789 1/20 0.32
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
XDH P47989 1/20 0.32
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 3/20 0.32
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
SLC2A1 P11166 1/20 0.31
SLC2A2 P11168 1/20 0.31
SLC2A3 P11169 1/20 0.31
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31

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 0.85 KMT2A (0.37) SMN1; SMN2PTGS1PTGS2DPP4ALDH1A1
SCHEMBL4742204 0.84 SMN1; SMN2 (0.38) SMN1; SMN2PTGS1PTGS2DPP4ALDH1A1
SCHEMBL4742164 0.83 PTGS1 (0.38) SMN1; SMN2PTGS1PTGS2DPP4GFER
SCHEMBL4742165 0.83 SMN1; SMN2 (0.37) SMN1; SMN2PTGS1PTGS2DPP4ALDH1A1
SCHEMBL4743196 0.82 SMN1; SMN2 (0.38) SMN1; SMN2PTGS1PTGS2DPP4ALDH1A1
SCHEMBL4742576 0.80 SMN1; SMN2 (0.36) SMN1; SMN2PTGS1PTGS2DPP4ALDH1A1
SCHEMBL4742643 0.80 SMN1; SMN2 (0.36) SMN1; SMN2PTGS1PTGS2DPP4ALDH1A1
SCHEMBL4742197 0.79 SMN1; SMN2 (0.39) SMN1; SMN2DPP4ALDH1A1TSHRLMNA
SCHEMBL4742563 0.79 MAPT (0.36) SMN1; SMN2PTGS1PTGS2DPP4ALDH1A1
SCHEMBL4742195 0.79 ABCG2 (0.36) SMN1; SMN2PTGS1PTGS2DPP4GFER

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 4 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-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
US-20110021764-A1 AZO PIGMENT, PIGMENT DISPERSION CONTAINING THE AZO PIGMENT, AND COLORING COMPOSITION FUJIFILM CORPORATION (JP) 2011-01-27 US disclosed