SCHEMBL7914905

SCHEMBL7914905

O=C1C(Br)=C(NC(=O)c2ccccc2)C(=O)C(Br)=C1NC(=O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
HKDC1 Q2TB90 2/20 0.62
PABPC1 P11940 1/20 0.62
CCR6 P51684 1/20 0.62
ATM Q13315 1/20 0.62
HSP90AA1 P07900 7/20 0.58
HSP90AB1 P08238 7/20 0.58
HDAC6 Q9UBN7 2/20 0.52
HDAC3 O15379 1/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
IDO1 P14902 1/20 0.52
ALOX15 P16050 1/20 0.52
HDAC1 Q13547 1/20 0.52
CA9 Q16790 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HDAC8 Q9BY41 1/20 0.52

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
SCHEMBL9702171 0.77 HKDC1 (1.00) MEN1KMT2AHKDC1PABPC1CCR6
SCHEMBL16296885 0.74 HSP90AA1 (1.00) MEN1KMT2AHKDC1PABPC1CCR6
SCHEMBL27509970 0.72 MEN1 (0.46) MEN1KMT2AHKDC1PABPC1CCR6
SCHEMBL16297016 0.72 HSP90AA1 (0.67) MEN1KMT2AHKDC1PABPC1CCR6
SCHEMBL7956944 0.72 HSP90AA1 (1.00) MEN1KMT2AHKDC1PABPC1CCR6
SCHEMBL22085391 0.71 KMT2A (0.59) MEN1KMT2AHDAC6HDAC3CA12
SCHEMBL27622875 0.71 HDAC1 (0.65) MEN1KMT2AHDAC6HDAC3CA12
SCHEMBL1965784 0.71 MEN1 (0.80) MEN1KMT2AHDAC6HDAC2HDAC8
SCHEMBL11847585 0.70 MEN1 (0.58) MEN1KMT2AHKDC1PABPC1CCR6
SCHEMBL24202631 0.70 SIRT1 (0.83) MEN1KMT2AHDAC6HDAC2HDAC8

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-6214990-B1 2,9-BIS(4-METHOXYBENZOYLOXY),3,10-DIMETHOXY,6,13-DICHLORO -PHENODIOXAZINE, FOR EXAMPLE; DYE HAS NARROW LIGHT ABORPTION BAND AND HIGH DICHROIC RATIO SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-04-10 US disclosed
US-4588810-A Basic triphendioxazine dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1986-05-13 US disclosed