SCHEMBL7532175

SCHEMBL7532175

CC(=O)CC(=O)Nc1ccc(Br)cc1C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.68
KDM4E B2RXH2 2/20 0.65
TDP1 Q9NUW8 1/20 0.65
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
ALDH1A1 P00352 1/20 0.55
APEX1 P27695 1/20 0.54
AKR1C2 P52895 4/20 0.52
AKR1C1 Q04828 3/20 0.52
AKR1C3 P42330 2/20 0.52
AKR1C4 P17516 1/20 0.52
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
METAP2 P50579 1/20 0.48
PKM P14618 1/20 0.48
TRPM2 O94759 1/20 0.47
KCNK2 O95069 1/20 0.47
KCNK10 P57789 1/20 0.47

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
SCHEMBL29440123 0.87 TDP1 (0.73) POLBKDM4ETDP1MEN1KMT2A
SCHEMBL140563 0.87 TDP1 (0.73) POLBKDM4ETDP1MEN1KMT2A
SCHEMBL8689243 0.84 TDP1 (0.68) POLBKDM4ETDP1MEN1KMT2A
SCHEMBL111313 0.83 ALDH1A1 (0.76) POLBKDM4ETDP1MEN1KMT2A
SCHEMBL7528165 0.81 KDM4E (0.71) POLBKDM4EMEN1KMT2AALDH1A1
SCHEMBL1128719 0.81 MAPT (0.60) MEN1KMT2AALDH1A1HTTNPSR1
SCHEMBL15647380 0.79 KMT2A (0.67) POLBKDM4ETDP1MEN1KMT2A
SCHEMBL14339913 0.78 POLB (0.56) POLBKDM4ETDP1MEN1KMT2A
SCHEMBL16655841 0.78 KDM4E (0.68) POLBKDM4ETDP1MEN1KMT2A
SCHEMBL27826167 0.78 ALDH1A1 (0.48) POLBKDM4EMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1134517-C Disazo pigment composition and printing ink 3M 2004-01-14 CN disclosed
EP-0823459-B1 Disazo pigment composition and printing ink DAINIPPON INK & CHEMICALS (JP) 2002-04-17 EP disclosed
US-5803962-A Disazo pigment composition and printing ink DAINIPPON INK AND CHEMICALS, INC. (JP) 1998-09-08 US disclosed
CN-1175607-A Tetrazo pigment composition and printing ink DAINIPPON INK & CHEMICALS (JP) 1998-03-11 CN disclosed
EP-0823459-A2 Disazo pigment composition and printing ink DAINIPPON INK AND CHEMICALS, INC. (JP) 1998-02-11 EP disclosed