SCHEMBL4742439

SCHEMBL4742439

CC(=O)Nc1cc(N2CCCCC2)ccc1/N=N/c1c(C#N)cnn1-c1ncccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
TP53 P04637 3/20 0.36
HPGD P15428 3/20 0.36
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HSD17B10 Q99714 2/20 0.36
GFER P55789 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
USP2 O75604 1/20 0.36
MAPK1 P28482 1/20 0.36
CSF1R P07333 4/20 0.35

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
SCHEMBL4742437 0.88 ALDH1A1 (0.38) ALDH1A1TSHRLMNATDP1HPGD
SCHEMBL4742442 0.83 MAPT (0.35) ALDH1A1TSHRLMNATDP1TP53
SCHEMBL4742455 0.82 KCNH2 (0.36) TDP1PTGS1PTGS2MAPTNPSR1
SCHEMBL4742452 0.78 ALDH1A1 (0.37) ALDH1A1TSHRLMNATDP1HPGD
SCHEMBL4742451 0.74 NPC1 (0.42) ALDH1A1TSHRLMNATP53MAPT
SCHEMBL4742480 0.73 ALDH1A1 (0.39) ALDH1A1TSHRPTGS1PTGS2TP53
SCHEMBL4743225 0.73 HPGD (0.34) ALDH1A1PTGS1PTGS2HPGDMAPT
SCHEMBL4742432 0.73 HPGD (0.34) ALDH1A1PTGS1PTGS2HPGDMAPT
SCHEMBL4742528 0.70 ALDH1A1 (0.34) ALDH1A1TSHRLMNATDP1
SCHEMBL4742428 0.70 KCNH2 (0.35) ALDH1A1TSHRLMNATDP1MAPT

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