SCHEMBL4743003

SCHEMBL4743003

COc1ccccc1NC(=O)C(N=Nc1c(C#N)cnn1-c1nc2ccccc2s1)C(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.48
NPC1 O15118 5/20 0.48
HTT P42858 2/20 0.40
PKM P14618 2/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 5/20 0.40
KDM4E B2RXH2 2/20 0.40
ATM Q13315 1/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 2/20 0.39
HSP90AA1 P07900 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
DUSP3 P51452 1/20 0.37
GPX4 P36969 1/20 0.37
THRB P10828 1/20 0.37
PSMD14 O00487 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL4771692 0.89 SMN1; SMN2 (0.38) RAB9ANPC1HTTPKMALDH1A1
SCHEMBL4742951 0.85 MAPT (0.37) HTTPKMALDH1A1MAPTMEN1
SCHEMBL4743340 0.84 MAPT (0.44) RAB9ANPC1HTTALDH1A1MAPT
SCHEMBL4742743 0.84 NPC1 (0.42) RAB9ANPC1HTTPKMALDH1A1
SCHEMBL4742934 0.84 SPR (0.40) RAB9ANPC1HTTPKMALDH1A1
SCHEMBL4771695 0.84 PDE9A (0.37) RAB9ANPC1HTTPKMALDH1A1
SCHEMBL4771687 0.83 PDE9A (0.37) HTTPKMALDH1A1MAPTKDM4E
SCHEMBL4742957 0.83 GFER (0.40) RAB9ANPC1HTTALDH1A1MAPT
SCHEMBL4742858 0.82 ALDH1A1 (0.42) RAB9ANPC1HTTALDH1A1MAPT
SCHEMBL4742958 0.80 KDM4E (0.43) HTTALDH1A1MAPTKDM4EMEN1

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