SCHEMBL4771687

SCHEMBL4771687

COc1ccccc1NC(=O)C(N=Nc1c(C#N)cnn1-c1cc(-n2ncc(C#N)c2N=NC(C(C)=O)C(=O)Nc2ccccc2OC)ncn1)C(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
PSMD14 O00487 1/20 0.36
PKM P14618 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
USP2 O75604 2/20 0.36
POLB P06746 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 2/20 0.35
GFER P55789 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL4742858 0.91 ALDH1A1 (0.42) PDE9AMEN1KMT2AUSP2POLB
SCHEMBL4742958 0.89 KDM4E (0.43) PDE9AMEN1KMT2AUSP2HTT
SCHEMBL4743031 0.88 MEN1 (0.33) PDE9AMEN1KMT2APSMD14PKM
SCHEMBL4742957 0.88 GFER (0.40) PDE9AMEN1KMT2APOLBHTT
SCHEMBL4743340 0.88 MAPT (0.44) PDE9AMEN1KMT2AUSP2POLB
SCHEMBL4771692 0.87 SMN1; SMN2 (0.38) PDE9AMEN1KMT2APSMD14PKM
SCHEMBL4742934 0.86 SPR (0.40) PDE9AMEN1KMT2APSMD14PKM
SCHEMBL4771695 0.86 PDE9A (0.37) PDE9AMEN1KMT2APSMD14PKM
SCHEMBL4742951 0.84 MAPT (0.37) PDE9AMEN1KMT2APSMD14PKM
SCHEMBL4780174 0.84 GFER (0.41) PDE9AMEN1KMT2APSMD14PKM

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