SCHEMBL8863154

SCHEMBL8863154

O=C1c2ccccc2C(=O)N1CCCCCCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.75
L3MBTL1 Q9Y468 1/20 0.75
CHRM2 P08172 2/20 0.67
MEN1 O00255 1/20 0.67
CYP1A2 P05177 1/20 0.67
CYP2C19 P33261 1/20 0.67
KMT2A Q03164 1/20 0.67
HDAC8 Q9BY41 3/20 0.66
HDAC3 O15379 2/20 0.66
HDAC4 P56524 2/20 0.66
HDAC1 Q13547 2/20 0.66
HDAC7 Q8WUI4 2/20 0.66
HDAC2 Q92769 2/20 0.66
HDAC10 Q969S8 2/20 0.66
HDAC11 Q96DB2 2/20 0.66
HDAC6 Q9UBN7 2/20 0.66
HDAC9 Q9UKV0 2/20 0.66
HDAC5 Q9UQL6 2/20 0.66
ACHE P22303 4/20 0.64

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
SCHEMBL8863094 1.00 TDP1 (0.75) TDP1L3MBTL1CHRM2MEN1CYP1A2
SCHEMBL2604742 1.00 TDP1 (0.75) TDP1L3MBTL1CHRM2MEN1CYP1A2
SCHEMBL8862878 1.00 TDP1 (0.75) TDP1L3MBTL1CHRM2MEN1CYP1A2
SCHEMBL6777483 1.00 TDP1 (0.75) TDP1L3MBTL1CHRM2MEN1CYP1A2
SCHEMBL8862728 1.00 TDP1 (0.75) TDP1L3MBTL1CHRM2MEN1CYP1A2
SCHEMBL6790333 0.98 TDP1 (0.71) TDP1L3MBTL1CHRM2MEN1CYP1A2
SCHEMBL4351612 0.93 TDP1 (0.66) TDP1L3MBTL1CHRM2MEN1CYP1A2
SCHEMBL5163334 0.92 TDP1 (0.66) TDP1L3MBTL1CHRM2MEN1CYP1A2
SCHEMBL7289747 0.92 TDP1 (0.66) TDP1L3MBTL1CHRM2MEN1CYP1A2
SCHEMBL7296901 0.92 TDP1 (0.66) TDP1L3MBTL1CHRM2MEN1CYP1A2

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-5688312-A INKS WITH COLORS AND IMIDES OR BISIMIDES, FOR ACOUSTIC INK PRINTER AND DROP EJECTOR XEROX CORPORATION (US) 1997-11-18 US claimed
US-5688312-A INKS WITH COLORS AND IMIDES OR BISIMIDES, FOR ACOUSTIC INK PRINTER AND DROP EJECTOR XEROX CORPORATION (US) 1997-11-18 US disclosed