SCHEMBL27800499

SCHEMBL27800499

CC(C)(C)OC(=O)N(N)CCCCC=O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.37
HDAC6 Q9UBN7 2/20 0.36
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
CTSK P43235 1/20 0.32
TSHR P16473 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL3050332 0.85 ALDH1A1 (0.38) CA14HDAC6HDAC1HDAC2L3MBTL1
SCHEMBL30772730 0.83 CA14 (0.39) CA14HDAC6HDAC1HDAC2MAOA
SCHEMBL27826887 0.83 HDAC6 (0.39) CA14HDAC6HDAC1HDAC2L3MBTL1
SCHEMBL15918864 0.82 TSHR (0.33) TSHRMAPT
SCHEMBL13109092 0.81 HDAC6 (0.38) CA14HDAC6HDAC1HDAC2MAOA
SCHEMBL17267525 0.81 CTSK (0.40) CA14HDAC6HDAC1HDAC2MAOA
SCHEMBL30324896 0.81 HDAC6 (0.38) CA14HDAC6HDAC1HDAC2MAOA
SCHEMBL1884648 0.81 CA14 (0.40) CA14HDAC6HDAC1HDAC2L3MBTL1
SCHEMBL20053155 0.80 CTSK (0.39) CA14HDAC6HDAC1HDAC2MAOA
SCHEMBL12283396 0.80 CTSK (0.39) CA14HDAC6HDAC1HDAC2MAOA

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
CN-101959887-B Pyrrolopyridines as kinase inhibitors ARRAY BIOPHARMA INC 2013-07-31 CN disclosed
CN-101959887-A Pyrrolopyridine as kinase inhibitor ARRAY BIOPHARMA INC 2011-01-26 CN disclosed