SCHEMBL4742968

SCHEMBL4742968

COc1ccccc1NC(=O)C(N=Nc1c(C#N)cnn1-c1ncccn1)C(=O)Nc1ccccc1CO

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.37
KDM4E B2RXH2 3/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
PSMD14 O00487 1/20 0.35
PKM P14618 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
THRB P10828 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
PDE9A O76083 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
SCHEMBL4780174 0.93 GFER (0.41) GFERKDM4EIRAK4MEN1KMT2A
SCHEMBL4743026 0.90 GFER (0.38) GFERKDM4EIRAK4MEN1KMT2A
SCHEMBL4742957 0.89 GFER (0.40) GFERKDM4EIRAK4MEN1KMT2A
SCHEMBL4780194 0.89 GFER (0.40) GFERKDM4EIRAK4MEN1KMT2A
SCHEMBL4742659 0.83 KDM4E (0.38) GFERKDM4EIRAK4MEN1KMT2A
SCHEMBL4743017 0.82 MEN1 (0.33) MEN1KMT2APSMD14PKMRXFP1
SCHEMBL4742858 0.82 ALDH1A1 (0.42) GFERKDM4EIRAK4MEN1KMT2A
SCHEMBL4743031 0.80 MEN1 (0.33) MEN1KMT2APSMD14PKMRXFP1
SCHEMBL4771695 0.80 PDE9A (0.37) MEN1KMT2APSMD14PKMRXFP1
SCHEMBL4743018 0.80 IRAK4 (0.42) KDM4EIRAK4MEN1KMT2APKM

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