SCHEMBL4498522

SCHEMBL4498522

COc1ccc(OC)c(-c2ccc3c(NC(=O)CC4CCCC4)n[nH]c3c2)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.55
HDAC2 Q92769 11/20 0.55
HDAC8 Q9BY41 11/20 0.55
HDAC6 Q9UBN7 4/20 0.51
AAK1 Q2M2I8 1/20 0.49
GSK3B P49841 1/20 0.49
FGFR1 P11362 1/20 0.48
FGFR2 P21802 1/20 0.48
FGFR4 P22455 1/20 0.48
FGFR3 P22607 1/20 0.48
EPHX2 P34913 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
SCHEMBL4494068 0.94 HDAC1 (0.54) HDAC1HDAC2HDAC8HDAC6AAK1
SCHEMBL4494473 0.91 HDAC1 (0.58) HDAC1HDAC2HDAC8HDAC6GSK3B
SCHEMBL4499787 0.90 HDAC6 (0.64) HDAC1HDAC2HDAC8HDAC6AAK1
SCHEMBL4486782 0.90 HDAC1 (0.68) HDAC1HDAC2HDAC8HDAC6AAK1
SCHEMBL4491749 0.89 HDAC1 (0.64) HDAC1HDAC2HDAC8HDAC6AAK1
SCHEMBL4492264 0.89 HDAC1 (0.53) HDAC1HDAC2HDAC8HDAC6AAK1
SCHEMBL4483758 0.86 HDAC1 (0.67) HDAC1HDAC2HDAC8HDAC6AAK1
SCHEMBL4494476 0.86 HDAC1 (0.65) HDAC1HDAC2HDAC8HDAC6AAK1
SCHEMBL4489020 0.85 HDAC1 (0.56) HDAC1HDAC2HDAC8HDAC6GSK3B
SCHEMBL4492977 0.84 HDAC1 (0.65) HDAC1HDAC2HDAC8HDAC6AAK1

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