SCHEMBL4742776

SCHEMBL4742776

COc1ccccc1NC(=O)C(N=Nc1c(C#N)cnn1-c1ncccn1)c1nc2cc(OC)c(OC)cc2c(=O)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 2/20 0.40
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
POLB P06746 2/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
SPR P35270 1/20 0.35
PDGFRA P16234 1/20 0.34
KDR P35968 1/20 0.34
EGFR P00533 3/20 0.34
ERBB2 P04626 3/20 0.34
SRC P12931 1/20 0.33
ESR1 P03372 1/20 0.33
HTT P42858 1/20 0.33
RXFP1 Q9HBX9 2/20 0.33
TP53 P04637 1/20 0.33
USP2 O75604 1/20 0.33
PSMD14 O00487 1/20 0.33

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
SCHEMBL4742716 0.93 PDE9A (0.41) PDE9ATSHRSMN1; SMN2CDK4CCND1
SCHEMBL4742667 0.88 MPO (0.38) PDE9AMEN1KMT2APOLBTSHR
SCHEMBL4742662 0.87 PDE9A (0.38) PDE9AMEN1KMT2APOLBTSHR
SCHEMBL4742755 0.86 PDE9A (0.40) PDE9AMEN1KMT2APOLBTSHR
SCHEMBL4742766 0.86 PDE9A (0.40) PDE9ATSHRSMN1; SMN2CDK4CCND1
SCHEMBL4770886 0.85 MAPT (0.38) PDE9APOLBSMN1; SMN2SRCHTT
SCHEMBL4742750 0.84 KDM4E (0.41) PDE9AMEN1KMT2APOLBTSHR
SCHEMBL4742732 0.84 PDE9A (0.40) PDE9ATSHRCDK4CCND1RXFP1
SCHEMBL4742753 0.84 PARP1 (0.35) PDE9AMEN1KMT2APOLBSPR
SCHEMBL4742675 0.83 PDE9A (0.38) PDE9AMEN1KMT2APOLBSMN1; SMN2

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