SCHEMBL4494572

SCHEMBL4494572

CC(=O)OCC(=O)Nc1n[nH]c2cc(-c3ccc(Cl)c(Cl)c3)ccc12

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.60
GSK3B P49841 18/20 0.58
CYP1A2 P05177 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53

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
SCHEMBL4484292 0.90 GSK3B (0.58) HDAC6GSK3BCYP1A2HDAC1HDAC2
SCHEMBL4482512 0.89 HDAC6 (0.62) HDAC6GSK3BCYP1A2HDAC1HDAC2
SCHEMBL4499921 0.88 GSK3B (0.58) GSK3BCYP1A2HDAC1HDAC2HDAC8
SCHEMBL4483459 0.87 HDAC1 (0.67) HDAC6GSK3BCYP1A2HDAC1HDAC2
SCHEMBL4491542 0.85 HDAC6 (0.61) HDAC6GSK3BCYP1A2HDAC1HDAC2
SCHEMBL4502900 0.85 GSK3B (0.58) HDAC6GSK3BCYP1A2HDAC1HDAC2
SCHEMBL4491880 0.83 GSK3B (0.59) HDAC6GSK3BCYP1A2HDAC1HDAC2
SCHEMBL4494448 0.83 GSK3B (0.74) GSK3BCYP1A2HDAC1HDAC2HDAC8
SCHEMBL4480325 0.83 GSK3B (0.54) HDAC6GSK3BCYP1A2HDAC1HDAC2
SCHEMBL4504740 0.83 GSK3B (0.64) GSK3BCYP1A2HDAC1HDAC2HDAC8

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