SCHEMBL4742480

SCHEMBL4742480

CC(=O)Nc1cc(/N=N/c2c(C#N)cnn2-c2ncccn2)ccc1Oc1ncccn1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
STK4 Q13043 10/20 0.35
MAP2K1 Q02750 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
STK3 Q13188 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
MAOB P27338 1/20 0.32
ATM Q13315 1/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL4742492 0.78 AR (0.34) STK4MAP2K1STK3KDM4ENPSR1
SCHEMBL4742455 0.76 KCNH2 (0.36) STK4PTGS1PTGS2ATMMAPT
SCHEMBL4742439 0.73 ALDH1A1 (0.38) ALDH1A1PTGS1PTGS2KDM4EUSP2
SCHEMBL4743225 0.73 HPGD (0.34) ALDH1A1STK4PTGS1PTGS2STK3
SCHEMBL4742432 0.73 HPGD (0.34) ALDH1A1STK4PTGS1PTGS2STK3
SCHEMBL13943118 0.71 SMN1; SMN2 (0.41) ALDH1A1MAP2K1PTGS1PTGS2KDM4E
SCHEMBL4742164 0.70 PTGS1 (0.38) MAP2K1PTGS1PTGS2KDM4ETP53
SCHEMBL12945651 0.70 DHODH (0.31) MAP2K1PTGS1PTGS2
SCHEMBL4742442 0.70 MAPT (0.35) ALDH1A1IRAK4KDM4EUSP2TP53
SCHEMBL4742195 0.70 ABCG2 (0.36) MAP2K1PTGS1PTGS2KDM4EMAPT

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