SCHEMBL4492124

SCHEMBL4492124

COc1ccc(CC(=O)Nc2n[nH]c3cc(-c4ccc(C(C)=O)cc4)ccc23)cc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.64
HDAC1 Q13547 7/20 0.63
HDAC2 Q92769 7/20 0.63
HDAC8 Q9BY41 7/20 0.63
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPT P10636 1/20 0.56
KMT2A Q03164 1/20 0.56
GSK3B P49841 8/20 0.54
FGFR4 P22455 1/20 0.52

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
SCHEMBL4500697 0.89 GSK3B (0.67) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4496581 0.85 HDAC1 (0.65) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4492565 0.83 HDAC1 (0.57) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4490865 0.83 HDAC1 (0.73) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4497413 0.83 HDAC1 (0.73) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4500710 0.83 HDAC1 (0.62) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL1461499 0.82 HDAC1 (0.78) HDAC1HDAC2HDAC8GSK3B
SCHEMBL4494131 0.81 HDAC6 (0.71) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4502900 0.81 GSK3B (0.58) HDAC6HDAC1HDAC2HDAC8ALDH1A1
SCHEMBL4503653 0.81 HDAC1 (0.65) HDAC6HDAC1HDAC2HDAC8GSK3B

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