SCHEMBL4742858

SCHEMBL4742858

COc1ccccc1NC(=O)C(N=Nc1c(C#N)cnn1-c1ccccn1)C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 4/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
GFER P55789 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
IRAK4 Q9NWZ3 2/20 0.38
POLB P06746 1/20 0.37
KIT P10721 1/20 0.37
FLT3 P36888 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.36
MAPT P10636 1/20 0.36
AHR P35869 1/20 0.36
PDE9A O76083 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
SCHEMBL4742958 0.93 KDM4E (0.43) ALDH1A1KDM4EUSP2TSHRHSD17B10
SCHEMBL4742957 0.92 GFER (0.40) ALDH1A1KDM4ETSHRSMN1; SMN2GFER
SCHEMBL4771687 0.91 PDE9A (0.37) ALDH1A1KDM4EUSP2TSHRSMN1; SMN2
SCHEMBL4764415 0.89 ALDH1A1 (0.43) ALDH1A1KDM4ESMN1; SMN2IRAK4POLB
SCHEMBL4743340 0.89 MAPT (0.44) ALDH1A1USP2TSHRSMN1; SMN2NPC1
SCHEMBL4780174 0.88 GFER (0.41) ALDH1A1KDM4ESMN1; SMN2GFERNPC1
SCHEMBL4771692 0.86 SMN1; SMN2 (0.38) ALDH1A1TSHRSMN1; SMN2NPC1RAB9A
SCHEMBL4771695 0.86 PDE9A (0.37) ALDH1A1USP2TSHRSMN1; SMN2NPC1
SCHEMBL4742993 0.86 GAA (0.36) ALDH1A1SMN1; SMN2FLT3CYP1A2CYP2C19
SCHEMBL4780194 0.85 GFER (0.40) ALDH1A1KDM4ESMN1; SMN2GFERNPC1

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