SCHEMBL6567328

SCHEMBL6567328

NCCCCCCCCCCNC(=O)c1ccccc1C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
HTT P42858 1/20 0.56
ALOX5 P09917 1/20 0.53
NAAA Q02083 1/20 0.51
HDAC3 O15379 7/20 0.49
HDAC1 Q13547 6/20 0.49
HCRTR1 O43613 1/20 0.48
NAMPT P43490 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL8654723 1.00 TSHR (0.56) TSHRHTTALOX5NAAAHDAC3
SCHEMBL8654086 1.00 TSHR (0.56) TSHRHTTALOX5NAAAHDAC3
SCHEMBL8653159 1.00 TSHR (0.56) TSHRHTTALOX5NAAAHDAC3
SCHEMBL8654054 0.98 HTT (0.57) TSHRHTTALOX5NAAAHDAC3
SCHEMBL30843288 0.92 HTT (0.65) TSHRHTTALOX5NAAAHDAC3
SCHEMBL15057855 0.87 HTT (0.56) TSHRHTTALOX5NAAAHDAC3
SCHEMBL8652703 0.86 TSHR (0.53) TSHRHTTHCRTR1HPGD
SCHEMBL6565344 0.86 TSHR (0.73) TSHRHTTALOX5NAAAHCRTR1
SCHEMBL6565410 0.86 TSHR (0.73) TSHRHTTALOX5NAAAHCRTR1
SCHEMBL4443780 0.86 TSHR (0.73) TSHRHTTALOX5NAAAHCRTR1

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
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-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