SCHEMBL4742172

SCHEMBL4742172

COC(=O)Nc1nn(-c2ccc(NC(C)=O)cc2)c(O)c1N=Nc1c(C#N)cnn1-c1ncccn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.36
PTGS2 P35354 2/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.34
XDH P47989 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
AR P10275 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
MAP2K1 Q02750 3/20 0.33
NPBWR1 P48145 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
SCHEMBL4742164 0.88 PTGS1 (0.38) PTGS1PTGS2MAPTKDM4EMEN1
SCHEMBL14233098 0.84 SMN1; SMN2 (0.41) PTGS1PTGS2ALDH1A1XDHSMN1; SMN2
SCHEMBL4742592 0.80 PTGS1 (0.35) PTGS1PTGS2ALDH1A1MAPTKDM4E
SCHEMBL4742165 0.77 SMN1; SMN2 (0.37) PTGS1PTGS2ALDH1A1MAPTXDH
SCHEMBL4742195 0.77 ABCG2 (0.36) PTGS1PTGS2MAPTKDM4EMEN1
SCHEMBL10102026 0.73 MAP2K1 (0.36) ALDH1A1MAPTKDM4EMEN1NPC1
SCHEMBL4742162 0.73 SMN1; SMN2 (0.39) PTGS1PTGS2ALDH1A1XDHKDM4E
SCHEMBL4742166 0.73 KMT2A (0.37) PTGS1PTGS2ALDH1A1XDHKDM4E
SCHEMBL12945541 0.72 KDR (0.33) PTGS1PTGS2ALDH1A1MAPTKDM4E
SCHEMBL4742163 0.72 PTGS1 (0.40) PTGS1PTGS2XDHSMN1; 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 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