SCHEMBL4488951

SCHEMBL4488951

COc1ccccc1-c1ccc2c(NC(=O)NCCNC(C)=O)n[nH]c2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.64
HDAC1 Q13547 3/20 0.64
HDAC2 Q92769 3/20 0.64
HDAC8 Q9BY41 3/20 0.64
ALDH1A1 P00352 2/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2D6 P10635 2/20 0.54
CYP3A4 P08684 1/20 0.54
TSHR P16473 1/20 0.54
HSD17B10 Q99714 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
FGFR1 P11362 3/20 0.51
FGFR2 P21802 3/20 0.51
FGFR4 P22455 2/20 0.51
FGFR3 P22607 1/20 0.51
GSK3B P49841 3/20 0.50
ABL1 P00519 3/20 0.50
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALOX15 P16050 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
SCHEMBL4503841 0.91 HDAC6 (0.65) HDAC6HDAC1HDAC2HDAC8FGFR1
SCHEMBL4491133 0.90 HDAC6 (0.64) HDAC6HDAC1HDAC2HDAC8FGFR1
SCHEMBL4490777 0.89 HDAC1 (0.65) HDAC6HDAC1HDAC2HDAC8FGFR1
SCHEMBL4489752 0.89 HDAC1 (0.65) HDAC6HDAC1HDAC2HDAC8FGFR1
SCHEMBL12886209 0.89 HDAC6 (0.62) HDAC6HDAC1HDAC2HDAC8FGFR1
SCHEMBL4482170 0.89 HDAC6 (0.62) HDAC6HDAC1HDAC2HDAC8ALDH1A1
SCHEMBL4500248 0.89 HDAC1 (0.64) HDAC6HDAC1HDAC2HDAC8FGFR1
SCHEMBL4494484 0.88 HDAC6 (0.74) HDAC6HDAC1HDAC2HDAC8HSD17B10
SCHEMBL4484791 0.87 HDAC1 (0.62) HDAC6HDAC1HDAC2HDAC8FGFR1
SCHEMBL12886236 0.87 HDAC6 (0.60) HDAC6HDAC1HDAC2HDAC8FGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7632854-B2 Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2009-12-15 US claimed