SCHEMBL4742166

SCHEMBL4742166

N#Cc1cnn(-c2ncccn2)c1N=Nc1c(C(N)=O)nn(-c2ccccc2)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
PTGS1 P23219 2/20 0.36
PTGS2 P35354 2/20 0.36
XDH P47989 1/20 0.36
RIPK2 O43353 1/20 0.34
CCNA2 P20248 4/20 0.34
CDK2 P24941 4/20 0.34
CCNA1 P78396 4/20 0.34
AURKA O14965 2/20 0.34
GFER P55789 1/20 0.34
DPP4 P27487 1/20 0.33
KDM4E B2RXH2 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
SCN9A Q15858 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL4742165 0.88 SMN1; SMN2 (0.37) KMT2ASMN1; SMN2PTGS1PTGS2XDH
SCHEMBL4742162 0.85 SMN1; SMN2 (0.39) KMT2ASMN1; SMN2PTGS1PTGS2XDH
SCHEMBL4742164 0.83 PTGS1 (0.38) KMT2ASMN1; SMN2PTGS1PTGS2GFER
SCHEMBL4742204 0.80 SMN1; SMN2 (0.38) KMT2ASMN1; SMN2PTGS1PTGS2XDH
SCHEMBL4742303 0.79 DPP4 (0.36) KMT2ASMN1; SMN2PTGS1PTGS2XDH
SCHEMBL4742195 0.79 ABCG2 (0.36) KMT2ASMN1; SMN2PTGS1PTGS2GFER
SCHEMBL4742576 0.79 SMN1; SMN2 (0.36) SMN1; SMN2PTGS1PTGS2XDHGFER
SCHEMBL4742189 0.78 KMT2A (0.41) KMT2ASMN1; SMN2RIPK2CCNA2CDK2
SCHEMBL4743196 0.78 SMN1; SMN2 (0.38) KMT2ASMN1; SMN2PTGS1PTGS2XDH
SCHEMBL4742643 0.78 SMN1; SMN2 (0.36) SMN1; SMN2PTGS1PTGS2XDHGFER

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