SCHEMBL27660433

SCHEMBL27660433

C=Cc1cnc(CC)nc1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.35
ALDH1A1 P00352 2/20 0.35
PDXK O00764 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL1134013 0.75 ALDH1A1 (0.37) ALDH1A1
SCHEMBL28209764 0.75 PDXK (0.37) HDAC8ALDH1A1PDXKTSHR
SCHEMBL934292 0.74
SCHEMBL28370951 0.72 HDAC8 (0.34) HDAC8
SCHEMBL24198350 0.71
SCHEMBL830410 0.70 KDM4E (0.38)
SCHEMBL28667869 0.70 ALDH1A1 (0.40) HDAC8ALDH1A1TSHR
SCHEMBL2937160 0.70
SCHEMBL10272514 0.70 LMNA (0.40) ALDH1A1
SCHEMBL1638575 0.70 ALDH1A1 (0.42) HDAC8ALDH1A1PDXKCHRNB2CHRNB4

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
CN-100480340-C Aqueous ink TOAGOSEI CO LTD (JP) 2009-04-22 CN disclosed
CN-1826395-A water-soluble ink TOAGOSEI CO LTD (JP) 2006-08-30 CN disclosed