SCHEMBL5196404

SCHEMBL5196404

C[C@H](O)[C@H](Cl)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL8335981 0.80 AAK1 (0.33) AAK1HDAC1HDAC2HDAC6
SCHEMBL643632 0.79 AAK1 (0.35) AAK1HDAC1HDAC2HDAC6
SCHEMBL5345861 0.77 AAK1 (0.35) AAK1HDAC1HDAC2HDAC6
SCHEMBL24488616 0.76 AAK1 (0.33) AAK1HDAC1HDAC2HDAC6
SCHEMBL1486172 0.76 AAK1 (0.32) AAK1HDAC1HDAC2HDAC6
SCHEMBL1486174 0.76 AAK1 (0.32) AAK1HDAC1HDAC2HDAC6
SCHEMBL28520254 0.76 AAK1 (0.32) AAK1HDAC1HDAC2HDAC6
SCHEMBL25384118 0.76 AAK1 (0.32) AAK1HDAC1HDAC2HDAC6
SCHEMBL6843570 0.76 AAK1 (0.32) AAK1HDAC1HDAC2HDAC6
SCHEMBL1337447 0.76 AAK1 (0.32) AAK1HDAC1HDAC2HDAC6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831211-A1 INDAZOLE-CARBOXAMIDE COMPOUNDS Theravance, Inc. (US) 2007-09-12 EP disclosed
WO-2006069125-A1 INDAZOLE-CARBOXAMIDE COMPOUNDS THERAVANCE, INC. (US) 2006-06-29 WO disclosed