SCHEMBL4486782

SCHEMBL4486782

COc1ccccc1-c1ccc2c(NC(=O)CC3CCCC3)n[nH]c2c1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.68
HDAC2 Q92769 5/20 0.68
HDAC8 Q9BY41 5/20 0.68
HDAC6 Q9UBN7 3/20 0.63
GSK3B P49841 3/20 0.54
AAK1 Q2M2I8 1/20 0.54
ACHE P22303 3/20 0.51
MAPK1 P28482 2/20 0.51
FGFR4 P22455 2/20 0.51
FGFR1 P11362 2/20 0.51
FGFR2 P21802 2/20 0.51
FGFR3 P22607 1/20 0.51
GSK3A P49840 1/20 0.49

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
SCHEMBL4499787 0.91 HDAC6 (0.64) HDAC1HDAC2HDAC8HDAC6GSK3B
SCHEMBL4486110 0.91 HDAC1 (0.71) HDAC1HDAC2HDAC8HDAC6GSK3B
SCHEMBL4487690 0.91 HDAC1 (0.56) HDAC1HDAC2HDAC8HDAC6GSK3B
SCHEMBL4498522 0.90 HDAC1 (0.55) HDAC1HDAC2HDAC8HDAC6GSK3B
SCHEMBL4494068 0.89 HDAC1 (0.54) HDAC1HDAC2HDAC8HDAC6GSK3B
SCHEMBL4494322 0.88 GSK3B (0.56) HDAC1HDAC2HDAC8HDAC6GSK3B
SCHEMBL4492264 0.87 HDAC1 (0.53) HDAC1HDAC2HDAC8HDAC6GSK3B
SCHEMBL4492176 0.86 HDAC1 (0.75) HDAC1HDAC2HDAC8HDAC6GSK3B
SCHEMBL4484335 0.86 HDAC1 (0.75) HDAC1HDAC2HDAC8HDAC6GSK3B
SCHEMBL4484157 0.86 GSK3B (0.53) HDAC1HDAC2HDAC8HDAC6GSK3B

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