SCHEMBL4559844

SCHEMBL4559844

CCCNC(=O)Nc1n[nH]c2cc(-c3ccc(OC)cc3)ccc12

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.62
HDAC1 Q13547 4/20 0.62
HDAC2 Q92769 4/20 0.62
HDAC8 Q9BY41 4/20 0.62
GSK3B P49841 13/20 0.58
FGFR4 P22455 1/20 0.55

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
SCHEMBL4489897 0.94 HDAC1 (0.63) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4492950 0.91 HDAC1 (0.65) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4491092 0.90 HDAC6 (0.61) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4503672 0.90 HDAC6 (0.61) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4502964 0.89 HDAC1 (0.63) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4489922 0.89 HDAC1 (0.62) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4491927 0.89 HDAC6 (0.62) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4497067 0.88 GSK3B (0.64) GSK3B
SCHEMBL4485507 0.87 GSK3B (0.58) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4483419 0.86 HDAC6 (0.61) 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