SCHEMBL4742750

SCHEMBL4742750

COC(=O)c1ccccc1NC(=O)C(N=Nc1c(C#N)cnn1-c1ncccn1)c1nc2ccccc2c(=O)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PDE5A O76074 1/20 0.38
POLB P06746 2/20 0.35
MALT1 Q9UDY8 1/20 0.35
HSD17B10 Q99714 4/20 0.35
PARP1 P09874 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 1/20 0.33
TNKS O95271 1/20 0.33
PDE9A O76083 1/20 0.32
ALOX15 P16050 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL4779664 0.93 PARP1 (0.34) KDM4ELMNAALDH1A1TSHRHPGD
SCHEMBL4742752 0.92 MALT1 (0.33) KDM4ELMNAALDH1A1TSHRHPGD
SCHEMBL4742716 0.91 PDE9A (0.41) LMNAALDH1A1TSHRSMN1; SMN2PARP1
SCHEMBL4742753 0.90 PARP1 (0.35) KDM4ELMNAALDH1A1POLBPARP1
SCHEMBL10280956 0.89 PARP1 (0.34) KDM4EALDH1A1HPGDPDE5APOLB
SCHEMBL4742764 0.89 KMT2A (0.38) KDM4EALDH1A1PDE5APOLBMALT1
SCHEMBL4779837 0.88 PARP1 (0.36) KDM4EPOLBMALT1PARP1PARP2
SCHEMBL4742774 0.88 LMNA (0.35) KDM4ELMNAALDH1A1SMN1; SMN2POLB
SCHEMBL4742760 0.88 G6PD (0.39) KDM4ETSHRPOLBMALT1PARP1
SCHEMBL4770886 0.87 MAPT (0.38) LMNASMN1; SMN2POLBHTTPDE9A

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