SCHEMBL6564910

SCHEMBL6564910

NCCCCCCCCCCCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HEXA P06865 2/20 0.70
HEXB P07686 2/20 0.70
TDP1 Q9NUW8 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
CHRM2 P08172 2/20 0.57
MEN1 O00255 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C19 P33261 1/20 0.57
KMT2A Q03164 1/20 0.57
HDAC8 Q9BY41 3/20 0.57
HDAC3 O15379 2/20 0.57
HDAC4 P56524 2/20 0.57
HDAC1 Q13547 2/20 0.57
HDAC7 Q8WUI4 2/20 0.57
HDAC2 Q92769 2/20 0.57
HDAC10 Q969S8 2/20 0.57
HDAC11 Q96DB2 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
HDAC9 Q9UKV0 2/20 0.57
HDAC5 Q9UQL6 2/20 0.57

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
SCHEMBL6563513 1.00 HEXA (0.70) HEXAHEXBTDP1L3MBTL1CHRM2
SCHEMBL6563574 1.00 HEXA (0.70) HEXAHEXBTDP1L3MBTL1CHRM2
SCHEMBL6564826 1.00 HEXA (0.70) HEXAHEXBTDP1L3MBTL1CHRM2
SCHEMBL6565705 1.00 HEXA (0.70) HEXAHEXBTDP1L3MBTL1CHRM2
SCHEMBL9663014 1.00 HEXA (0.70) HEXAHEXBTDP1L3MBTL1CHRM2
Hydrochloric Acid SCHEMBL11628370 0.98 HEXA (0.68) HEXAHEXBTDP1L3MBTL1CHRM2
SCHEMBL3799364 0.98 HEXA (0.72) HEXAHEXBTDP1L3MBTL1CHRM2
SCHEMBL31439927 0.98 HEXA (0.72) HEXAHEXBTDP1L3MBTL1CHRM2
Hydrochloric Acid SCHEMBL7426685 0.96 HEXA (0.70) HEXAHEXBTDP1L3MBTL1CYP1A2
SCHEMBL4063836 0.92 HEXA (0.71) HEXAHEXBTDP1L3MBTL1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0854177-B1 Ink compositions XEROX CORP (US) 2004-03-31 EP claimed
EP-0854177-A1 Ink compositions XEROX CORPORATION (US) 1998-07-22 EP claimed
US-5693128-A INK COMPRISED OF COLORANT AND REVERSIBLE CROSSLINKED COMPONENT VEHICLE OBTAINED FROM REACTION PRODUCT OF MONOANHYDRIDE AND POLYAMINE XEROX CORPORATION (US) 1997-12-02 US claimed
EP-0854177-B1 Ink compositions XEROX CORP (US) 2004-03-31 EP disclosed
EP-0854177-A1 Ink compositions XEROX CORPORATION (US) 1998-07-22 EP disclosed
US-5693128-A INK COMPRISED OF COLORANT AND REVERSIBLE CROSSLINKED COMPONENT VEHICLE OBTAINED FROM REACTION PRODUCT OF MONOANHYDRIDE AND POLYAMINE XEROX CORPORATION (US) 1997-12-02 US disclosed
WO-1990003405-A1 TOUGH, HIGH PERFORMANCE, ADDITION-TYPE THERMOPLASTIC POLYMERS UNITED STATES GOVERNMENT, AS REPRESENTED BY THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1990-04-05 WO disclosed