SCHEMBL4476112

SCHEMBL4476112

COc1ccc(C(C)C)cc1-c1ccc2c(NC(=O)CCC3CCCC3)n[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.56
HDAC2 Q92769 8/20 0.56
HDAC8 Q9BY41 8/20 0.56
HDAC6 Q9UBN7 2/20 0.47
GSK3B P49841 9/20 0.46
NPSR1 Q6W5P4 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
SCHEMBL4492264 0.92 HDAC1 (0.53) HDAC1HDAC2HDAC8HDAC6GSK3B
SCHEMBL4494473 0.89 HDAC1 (0.58) HDAC1HDAC2HDAC8HDAC6GSK3B
SCHEMBL4492020 0.88 HDAC6 (0.62) HDAC1HDAC2HDAC8HDAC6GSK3B
SCHEMBL4486110 0.88 HDAC1 (0.71) HDAC1HDAC2HDAC8HDAC6GSK3B
SCHEMBL4502400 0.85 HDAC1 (0.54) HDAC1HDAC2HDAC8HDAC6GSK3B
SCHEMBL4491831 0.85 HDAC1 (0.62) HDAC1HDAC2HDAC8GSK3B
SCHEMBL4488079 0.85 HDAC1 (0.56) HDAC1HDAC2HDAC8HDAC6GSK3B
SCHEMBL4489020 0.84 HDAC1 (0.56) HDAC1HDAC2HDAC8HDAC6GSK3B
SCHEMBL4488634 0.84 HDAC1 (0.54) HDAC1HDAC2HDAC8HDAC6GSK3B
SCHEMBL4495192 0.83 GSK3B (0.59) HDAC1HDAC2HDAC8GSK3B

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