SCHEMBL6824288

SCHEMBL6824288

NC(=O)c1cc(C=O)sc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.47
ALDH1A1 P00352 4/20 0.39
MAPT P10636 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPK1 P28482 2/20 0.39
GAA P10253 4/20 0.33
CYP2A6 P11509 3/20 0.33
HPGD P15428 2/20 0.33
ERN1 O75460 1/20 0.33
KDM4E B2RXH2 2/20 0.32
GFER P55789 2/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
YWHAG P61981 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTT P42858 1/20 0.31
ADORA1 P30542 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL14354656 0.84 KMT2A (0.49) IKBKBALDH1A1MAPTMEN1KMT2A
SCHEMBL12448974 0.82 IKBKB (0.46) IKBKBALDH1A1MAPTMEN1KMT2A
SCHEMBL12204918 0.74 GAA (0.63) IKBKBALDH1A1MAPTMEN1KMT2A
SCHEMBL15943479 0.74 IKBKB (0.53) IKBKBALDH1A1MAPTMEN1KMT2A
SCHEMBL166884 0.71 ALDH1A1 (0.58) IKBKBALDH1A1MAPTMEN1KMT2A
SCHEMBL12448958 0.71 IKBKB (0.50) IKBKBALDH1A1MAPTMEN1KMT2A
SCHEMBL10627352 0.69 ALDH1A1 (0.45) IKBKBALDH1A1MAPTMEN1KMT2A
SCHEMBL16387375 0.68 IKBKB (0.47) IKBKBALDH1A1MAPTMEN1KMT2A
SCHEMBL16652943 0.67 MEN1 (0.46) IKBKBALDH1A1MAPTMEN1KMT2A
SCHEMBL5029516 0.67 MAPK1 (0.49) IKBKBALDH1A1MAPTMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6737517-B2 AZO GROUP CONTAINING TRANSITION METAL COMPLEX DYE EXHIBITS A GOOD ACHROMATICITY AS WELL AS A GOOD LIGHT-RESISTANCE MITSUBISHI CHEMICAL CORPORATION (JP) 2004-05-18 US disclosed
US-20030149251-A1 Metal chelated azo dyestuff for inkjet recording and recording liquid for inkjet and inkjet recording method using same MITSUBISHI CHEMICAL CORPORATION (JP) 2003-08-07 US disclosed
EP-1260556-A1 METAL CHELATE AZO DYE FOR INK-JET RECORDING, INK-JET RECORDING FLUID CONTAINING THE SAME, AND METHOD OF INK-JET RECORDING MITSUBISHI CHEMICAL CORPORATION (JP) 2002-11-27 EP disclosed