SCHEMBL4780174

SCHEMBL4780174

COc1ccccc1NC(=O)C(N=Nc1c(C#N)cnn1-c1ncccn1)C(=O)Nc1ccccc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.41
KDM4E B2RXH2 4/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HTT P42858 1/20 0.38
AHR P35869 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
PDE9A O76083 1/20 0.37
POLB P06746 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 1/20 0.37
PSMD14 O00487 1/20 0.37
PKM P14618 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL4742957 0.96 GFER (0.40) GFERKDM4EIRAK4SMN1; SMN2ALDH1A1
SCHEMBL4780194 0.96 GFER (0.40) GFERKDM4EIRAK4SMN1; SMN2ALDH1A1
SCHEMBL4742968 0.93 GFER (0.37) GFERKDM4EIRAK4SMN1; SMN2ALDH1A1
SCHEMBL4743026 0.93 GFER (0.38) GFERKDM4EIRAK4SMN1; SMN2ALDH1A1
SCHEMBL4742659 0.89 KDM4E (0.38) GFERKDM4EIRAK4SMN1; SMN2ALDH1A1
SCHEMBL4742858 0.88 ALDH1A1 (0.42) GFERKDM4EIRAK4SMN1; SMN2ALDH1A1
SCHEMBL4771695 0.86 PDE9A (0.37) SMN1; SMN2ALDH1A1NPC1RAB9AHTT
SCHEMBL4743018 0.86 IRAK4 (0.42) KDM4EIRAK4SMN1; SMN2ALDH1A1NPC1
SCHEMBL4743340 0.85 MAPT (0.44) SMN1; SMN2ALDH1A1NPC1RAB9AHTT
SCHEMBL4742934 0.85 SPR (0.40) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A

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